Identification

Name

Desmopressin

Accession Number

DB00035

Description

Desmopressin (dDAVP), a synthetic analogue of 8-arginine vasopressin (ADH), is an antidiuretic peptide drug modified by deamination of 1-cysteine and substitution of 8-L-arginine by 8-D-arginine. ADH is an endogenous pituitary hormone that has a crucial role in the control of the water content in the body. Upon release from the stimulation of increased plasma osmolarity or decreased circulating blood volume, ADH mainly acts on the cells of the distal part of the nephron and the collecting tubules in the kidney ⁶. The hormone interacts with V1, V2 or V3 receptors with differing signal cascade systems.

Desmopressin displays enhanced antidiuretic potency, fewer pressor effects due to V2-selective actions, and a prolonged half-life and duration of action compared to endogenous ADH ². It has been employed clinically since 1972 and is available in various formulations including intranasal solution, intravenous solution, oral tablet and oral lyophilisate ³. Desmopressin is indicated for the treatment of polyuric conditions including primary nocturnal enuresis, nocturia, and diabetes insipidus. It was also newly approved for the treatment of mild classical hemophilia and von Willebrand's disease for minor surgeries. The active ingredient in most formulations is desmopressin acetate. Nocdurna, or desmopressin acetate, was approved by the FDA on June 21st, 2018 for the treatment of nocturia due to nocturnal polyuria in adults. It is available as a sublingual tablet.

Type

Small Molecule

Groups

Approved

Structure

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MOLSDFPDBSMILESInChI

Similar Structures

Structure for Desmopressin (DB00035)

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Weight

Average: 1069.22
Monoisotopic: 1068.426955905

Chemical Formula

C₄₆H₆₄N₁₄O₁₂S₂

Synonyms

• 1-(3-mercaptopropionic acid)-8-D-arginine-vasopressin
• 1-deamino-8-D-arginine vasopressin
• 1-desamino-8-D-arginine vasopressin
• dDAVP
• Desmopresina
• Desmopressin
• Desmopressine
• Desmopressinum

Pharmacology

Indication

• Indicated for the treatment of nocturia due to nocturnal polyuria in adults who awaken at least 2 times per night to void (intranasal).

• Indicated as antidiuretic replacement therapy in the management of central cranial diabetes insipidus and for management of the temporary polyuria and polydipsia following head trauma or surgery in the pituitary region (intranasal/parenteral).

• Indicated for patients with hemophilia A with factor VIII coagulant activity levels greater than 5% or mild to moderate classic von Willebrand's Disease (Type I) with factor VIII levels greater than 5% during surgical procedures and postoperatively to maintain hemostasis (parenteral).

Associated Conditions

• Bleeding
• Central Diabetes Insipidus
• Nocturia
• Polydipsia
• Polyuria
• Primary Nocturnal Enuresis

Contraindications & Blackbox Warnings

Learn about our commercial Contraindications & Blackbox Warnings data.

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Pharmacodynamics

By mimicking the actions of endogenous ADH, desmopressin acts as a selective agonist of V2 receptors expressed in the renal collecting duct (CD) to increase water re-absorption and reduce urine production. Desmopressin has been shown to be more potent than ADH in increasing plasma levels of factor VIII activity in patients with hemophilia and von Willebrand's disease Type I ⁸. Desmopressin demonstrates markedly diminished pressor activity. Desmopressin administered intranasally has an antidiuretic effect about one-tenth that of an equivalent dose administered by injection ⁷.

Mechanism of action

Upon binding of desmopressin to V2 receptors in the basolateral membrane of the cells of the distal tubule and collecting ducts of the nephron, adenylyl cyclase is stimulated. The resulting intracellular cascades in the collecting duct lead to increased rate of insertion of water channels, called aquaporins, into the lumenal membrane and enhanced the permeability of the membrane to water ⁶.

Target	Actions	Organism
AVasopressin V2 receptor	agonist	Humans
AVasopressin V1a receptor	Not Available	Humans
AVasopressin V1b receptor	Not Available	Humans

Absorption

Following nasal spray administration of 0.83 mcg and 1.66 mcg, median time to peak plasma concentrations (Tmax) was 0.25 and 0.75 hour, respectively ^Label. The peak plasma concentration was approximately 4.00 (± 3.85) pg/mL and 9.11 (± 6.90) pg/mL, respectively ^Label. The bioavailability of 1.5 mg/mL desmopressin administered by the intranasal route was between 3.3 and 4.1% ⁸.

The absolute bioavailability of orally administered desmopressin varies between 0.08% and 0.16% where the mean maximum plasma concentration is reached within 2 hours ⁹.

Volume of distribution

The distribution volume of orally administered desmopressin is 0.2 – 0.32 l/kg ⁹. It is not reported to cross the blood-brain barrier.

Protein binding

Following radioiodination (125I) in the N-terminal, the fraction of plasma protein binding of desmopressin was reported to be 17.3 ± 1.5% in a pharmacokinetic study involving healthy subjects ⁵.

Metabolism

In vitro, in human liver microsome preparations, it has been shown that no significant amount of desmopressin is metabolised in the liver and thus human liver metabolism in vivo is not likely to occur ⁹.

Route of elimination

Desmopressin is mainly excreted in the urine. About 65% of the amount of desmopressin absorbed after oral administration could be recovered in the urine within 24 hours ⁹.

Half-life

Following an intranasal dose of 1.66 mcg of desmopressin, the median apparent terminal half-life was 2.8 hours ^Label. Terminal half-life significantly increased from 3 hours in normal healthy patients to 9 hours in patients with severe renal impairment ^Label. The oral terminal half life of desmopressin ranges from 2 to 3.11 hours ⁹.

Clearance

Not Available

Adverse Effects

Learn about our commercial Adverse Effects data.

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Toxicity

Intravenous TDLo in humans is reported to be 0.3 µg/kg/10M ^MSDS. Desmopressin is associated with hyponatremia in case of overdose, which may require temporary or permanent discontinuation of the therapy depending on severity. The effects of hyponatremia include seizure, altered mental status (confusion, drowsiness or continuing headache), cardiac arrhythmias and worsening edema. Other signs of overdose may include oliguria and rapid weight gain due to fluid retention ^Label. In case of overdose, reduce the dose or frequency of drug administration, or discontinue use if appropriate. Assessment of serum sodium and initiation of appropriate medical treatment is recommended.

Affected organisms

• Humans and other mammals

Pathways

Not Available

Pharmacogenomic Effects/ADRs

Not Available

Interactions

Drug Interactions

This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.

• Approved
• Vet approved
• Nutraceutical
• Illicit
• Withdrawn
• Investigational
• Experimental
• All Drugs

Drug	Interaction
Unlock Additional Data
Abacavir	Desmopressin may decrease the excretion rate of Abacavir which could result in a higher serum level.
Acarbose	Desmopressin may decrease the excretion rate of Acarbose which could result in a higher serum level.
Acebutolol	Desmopressin may decrease the antihypertensive activities of Acebutolol.
Aceclofenac	The risk or severity of hypertension, hyponatremia, and water intoxication can be increased when Aceclofenac is combined with Desmopressin.
Acemetacin	The risk or severity of hypertension, hyponatremia, and water intoxication can be increased when Acemetacin is combined with Desmopressin.
Acetaminophen	Desmopressin may decrease the excretion rate of Acetaminophen which could result in a higher serum level.
Acetazolamide	Acetazolamide may increase the excretion rate of Desmopressin which could result in a lower serum level and potentially a reduction in efficacy.
Acetylsalicylic acid	The risk or severity of hypertension, hyponatremia, and water intoxication can be increased when Acetylsalicylic acid is combined with Desmopressin.
Aclidinium	Desmopressin may decrease the excretion rate of Aclidinium which could result in a higher serum level.
Acrivastine	Desmopressin may decrease the excretion rate of Acrivastine which could result in a higher serum level.

Additional Data Available

Extended Description
Extended Description
Extended description of the mechanism of action and particular properties of each drug interaction.
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Severity
Severity
A severity rating for each drug interaction, from minor to major.
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Evidence Level
Evidence Level
A rating for the strength of the evidence supporting each drug interaction.
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Action
Action
An effect category for each drug interaction. Know how this interaction affects the subject drug.
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Food Interactions

No interactions found.

Products

Product Ingredients

Ingredient	UNII	CAS	InChI Key
Desmopressin acetate	XB13HYU18U	62357-86-2	YNKFCNRZZPFMEX-XHPDKPNGSA-N
Desmopressin acetate anhydrous	1K12647SFC	62288-83-9	MLSVJHOYXJGGTR-IFHOVBQLSA-N

Product Images

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International/Other Brands

Adiuretin (Ferring) / DesmoMelt (Ferring)

Brand Name Prescription Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
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Ddavp	Injection	4 ug/1mL	Intravenous	Ferring Pharmaceuticals Inc.	1984-03-30	Not applicable
Ddavp	Spray	0.1 mg/1mL	Nasal	Ferring Pharmaceuticals Inc.	1978-02-21	Not applicable
Ddavp	Injection	4 ug/1mL	Intravenous	Ferring Pharmaceuticals Inc.	1984-03-30	Not applicable
Ddavp	Tablet	0.1 mg/1	Oral	sanofi-aventis U.S. LLC	1995-09-06	2016-09-30
Ddavp	Tablet	0.1 mg/1	Oral	Ferring Pharmaceuticals Inc.	1995-09-06	Not applicable
Ddavp	Spray	0.1 ug/1mL	Nasal	Ferring Pharmaceuticals Inc.	1978-02-21	Not applicable
Ddavp	Solution	0.1 mg/1mL	Nasal	sanofi-aventis U.S. LLC	1978-02-21	2015-11-30
Ddavp	Solution	4 ug/1mL	Intravenous	sanofi-aventis U.S. LLC	1984-03-30	2017-10-31
Ddavp	Tablet	0.2 mg/1	Oral	sanofi-aventis U.S. LLC	1995-09-06	2016-01-31
Ddavp	Solution	4 ug/1mL	Intravenous	Physicians Total Care, Inc.	1984-03-30	2010-06-30

Additional Data Available

Application Number
Application Number
A unique ID assigned by the FDA when a product is submitted for approval by the labeller.
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Product Code
Product Code
A governmentally-recognized ID which uniquely identifies the product within its regulatory market.
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Generic Prescription Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
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Desmopressin Acetate	Spray	10 ug/0.1mL	Nasal	Prasco Laboratories	2014-01-01	2018-05-31
Desmopressin Acetate	Injection, solution	4 ug/1mL	Intravenous; Subcutaneous	Northstar RxLLC	2020-07-01	Not applicable
Desmopressin Acetate	Tablet	0.2 mg/1	Oral	Mylan Institutional	2007-12-26	2017-11-30
Desmopressin Acetate	Tablet	0.2 mg/1	Oral	Teva	2006-01-27	2017-12-31
Desmopressin Acetate	Injection, solution	4 ug/1mL	Intravenous; Subcutaneous	Sagent Pharmaceuticals	2018-03-15	Not applicable
Desmopressin Acetate	Tablet	0.1 mg/1	Oral	Teva	2006-01-27	2017-12-31
Desmopressin Acetate	Tablet	0.1 mg/1	Oral	NorthStar Rx LLC	2015-05-28	Not applicable
Desmopressin Acetate	Tablet	0.2 mg/1	Oral	Av Kare, Inc.	2013-03-07	2014-04-23
Desmopressin Acetate	Tablet	0.1 mg/1	Oral	American Health Packaging	2012-11-06	Not applicable
Desmopressin Acetate	Tablet	0.2 mg/1	Oral	Watson Pharmaceuticals	2011-01-14	2013-05-31

Additional Data Available

Application Number
Application Number
A unique ID assigned by the FDA when a product is submitted for approval by the labeller.
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Product Code
Product Code
A governmentally-recognized ID which uniquely identifies the product within its regulatory market.
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Categories

ATC Codes

H01BA02 — Desmopressin

• H01BA — Vasopressin and analogues
• H01B — POSTERIOR PITUITARY LOBE HORMONES
• H01 — PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
• H — SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS

Drug Categories

• Agents that produce hypertension
• Amino Acids, Peptides, and Proteins
• Antidiuretic Agents
• Arginine Vasopressin
• Cardiovascular Agents
• Coagulants
• Drugs that are Mainly Renally Excreted
• Factor VIII Activator
• Hematologic Agents
• Hemostatics
• Hormones
• Hormones, Hormone Substitutes, and Hormone Antagonists
• Increased Coagulation Factor VIII Activity
• Increased Coagulation Factor VIII Concentration
• Natriuretic Agents
• Nerve Tissue Proteins
• Neuropeptides
• Oligopeptides
• Peptide Hormones
• Peptides
• Pituitary
• Pituitary and Hypothalamic Hormones and Analogues
• Pituitary Hormones
• Pituitary Hormones, Posterior
• Posterior Pituitary Lobe Hormones
• Proteins
• Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins
• Vasopressin Analog
• Vasopressin and Analogues
• Vasopressins

Classification

Not classified

Chemical Identifiers

UNII

ENR1LLB0FP

CAS number

16679-58-6

InChI Key

NFLWUMRGJYTJIN-PNIOQBSNSA-N

InChI

InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1

IUPAC Name

(2R)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide

SMILES

NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O

References

Synthesis Reference

Krister Larsson, Thomas Mellbrand, Birgitta Mornstam, Jan Roschester, Jan-Ake Skoldback, "High purity desmopressin produced in large single batches." U.S. Patent US5674850, issued November, 1991.

US5674850

General References

1. Leissinger C, Becton D, Cornell C Jr, Cox Gill J: High-dose DDAVP intranasal spray (Stimate) for the prevention and treatment of bleeding in patients with mild haemophilia A, mild or moderate type 1 von Willebrand disease and symptomatic carriers of haemophilia A. Haemophilia. 2001 May;7(3):258-66. [PubMed:11380629]
2. Richardson DW, Robinson AG: Desmopressin. Ann Intern Med. 1985 Aug;103(2):228-39. [PubMed:3893256]
3. Vande Walle J, Stockner M, Raes A, Norgaard JP: Desmopressin 30 years in clinical use: a safety review. Curr Drug Saf. 2007 Sep;2(3):232-8. [PubMed:18690973]
4. Agerso H, Seiding Larsen L, Riis A, Lovgren U, Karlsson MO, Senderovitz T: Pharmacokinetics and renal excretion of desmopressin after intravenous administration to healthy subjects and renally impaired patients. Br J Clin Pharmacol. 2004 Oct;58(4):352-8. doi: 10.1111/j.1365-2125.2004.02175.x. [PubMed:15373927]
5. Lundin S, Broeders A, Melin P: Pharmacokinetic properties of the tocolytic agent [Mpa1, D-Tyr(Et)2, Thr4, Orn8]-oxytocin (antocin) in healthy volunteers. Clin Endocrinol (Oxf). 1993 Sep;39(3):369-74. [PubMed:8222299]
6. 32. (2012). In Rang and Dale's Pharmacology (7th ed., pp. 399-400). Edinburgh: Elsevier/Churchill Livingstone. [ISBN:978-0-7020-3471-8]
7. DDVAP Nasal Spray FDA Label [Link]
8. Stimate (desmopressin acetate) nasal spray FDA Label [Link]
9. UKPAR for Desmopressin acetate 100mcg and 200mcg Tablets [Link]

External Links

Human Metabolome Database

HMDB0014260

KEGG Drug

D00291

KEGG Compound

C06944

ChemSpider

4470602

BindingDB

50205308

RxNav

3251

ChEBI

4450

ChEMBL

CHEMBL1429

Therapeutic Targets Database

DNC000526

PharmGKB

PA449237

RxList

RxList Drug Page

Drugs.com

Drugs.com Drug Page

Wikipedia

Desmopressin

AHFS Codes

• 68:28.00 — Pituitary

FDA label

Download (1.22 MB)

MSDS

Download (26.2 KB)

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count
4	Active Not Recruiting	Prevention	C.Surgical Procedure; Cardiac / Disorders, Blood Coagulation	1
4	Completed	Diagnostic	Monosymptomatic Nocturnal Enuresis	1
4	Completed	Prevention	Blood Loss,Surgical / Hemorrhage / Postoperative Hemorrhages	1
4	Completed	Prevention	Patients Undergoing Endoscopic Sinus Surgery	1
4	Completed	Prevention	Renal Failure	1
4	Completed	Treatment	Acquired Von Willebrand Disease Secondary to Severe Aortic Stenosis / Heye´s Syndrome / Severe Aortic Stenosis	1
4	Completed	Treatment	Enuresis / Polyuria	1
4	Completed	Treatment	Hemophilia A	1
4	Completed	Treatment	Monosymptomatic Nocturnal Enuresis	1
4	Completed	Treatment	Nocturia	1

Pharmacoeconomics

Manufacturers

• Sanofi aventis us llc
• Bedford laboratories div ben venue laboratories inc
• Hospira inc
• Teva parenteral medicines inc
• Ferring pharmaceuticals inc
• Bausch and lomb pharmaceuticals inc
• Apotex inc richmond hill
• Csl behring llc
• Apotex inc etobicoke site
• Teva pharmaceuticals usa
• Watson laboratories inc

Packagers

• Amerisource Health Services Corp.
• Apotex Inc.
• Arcola Laboratories
• Bachem Inc.
• Barr Pharmaceuticals
• Bausch & Lomb Inc.
• CSL Behring LLC
• Ferring Pharmaceuticals Inc.
• Hospira Inc.
• Kaiser Foundation Hospital
• Pharmacy Service Center
• Physicians Total Care Inc.
• Promex Medical Inc.
• Rechon Life Science AB
• Sanofi-Aventis Inc.
• Sicor Pharmaceuticals
• Sun Pharmaceutical Industries Ltd.
• Teva Pharmaceutical Industries Ltd.
• UDL Laboratories
• Watson Pharmaceuticals

Dosage Forms

Form	Route	Strength
Solution	Intravenous	4 ug/1mL
Spray	Nasal	0.1 ug/1mL
Liquid	Intramuscular; Intravenous; Subcutaneous
Tablet, orally disintegrating	Sublingual
Solution	Nasal
Aerosol, metered	Nasal
Tablet	Oral
Injection	Intravenous	4 ug/1mL
Injection	Intravenous; Subcutaneous	4 ug/1mL
Injection, solution	Intravenous; Subcutaneous	4 ug/1mL
Injection, solution	Intravenous; Subcutaneous	40 ug/10mL
Powder	Not applicable	1 g/1g
Solution	Nasal	0.1 mg/1mL
Spray	Nasal	0.1 mg/1mL
Spray	Nasal	10 ug/1
Spray	Nasal	10 ug/0.1mL
Tablet	Oral	0.1 mg/1
Tablet	Oral	0.2 mg/1
Spray, metered	Nasal
Tablet	Sublingual	27.7 ug/1
Tablet	Sublingual	55.3 ug/1
Tablet, orally disintegrating	Sublingual	25 mcg
Tablet, orally disintegrating	Sublingual	50 mcg
Spray, metered	Nasal	0.83 ug/1
Spray, metered	Nasal	1.66 ug/1
Liquid	Intravenous; Subcutaneous
Spray	Nasal
Spray, metered	Nasal	1.5 mg/1mL

Prices

Unit description	Cost	Unit
Stimate 1.5 mg/ml nasal spray	334.2USD	ml
Ddavp 0.01% nasal spray	50.76USD	ml
Ddavp 4 mcg/ml ampul	43.27USD	ml
Desmopressin 0.1 mg/ml spray	39.6USD	ml
Ddavp 0.1 mg/ml Solution	21.26USD	ml
Octostim 150 mcg/dose Metered Dose Spray	17.39USD	dose
Ddavp 4 mcg/ml	11.33USD	ml
Desmopressin ac 4 mcg/ml amp	7.28USD	ml
Desmopressin ac 4 mcg/ml vial	7.08USD	ml
Ddavp 0.2 mg tablet	6.43USD	tablet
Ddavp 0.1 mg tablet	4.47USD	tablet
Desmopressin acetate 0.2 mg tablet	4.44USD	tablet
Desmopressin acetate 0.1 mg tablet	3.08USD	tablet
Ddavp 0.2 mg Tablet	2.98USD	tablet
Ddavp 10 mcg/dose Metered Dose Spray	2.13USD	dose
Apo-Desmopressin 0.2 mg Tablet	1.67USD	tablet
Novo-Desmopressin 0.2 mg Tablet	1.67USD	tablet
Pms-Desmopressin 0.2 mg Tablet	1.67USD	tablet
Ddavp 0.1 mg Tablet	1.49USD	tablet
Apo-Desmopressin 10 mcg/dose Metered Dose Spray	1.48USD	dose
Apo-Desmopressin 0.1 mg Tablet	0.83USD	tablet
Novo-Desmopressin 0.1 mg Tablet	0.83USD	tablet
Pms-Desmopressin 0.1 mg Tablet	0.83USD	tablet

DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.

Patents

Patent Number	Pediatric Extension	Approved	Expires (estimated)	Region
Unlock Additional Data
US7022340	No	2006-04-04	2023-04-30
US5500413	No	1996-03-19	2013-06-29
CA2484724	No	2007-01-16	2023-05-07
CA2486833	No	2005-08-02	2024-04-30
US9539302	No	2017-01-10	2030-06-15
US7799761	No	2010-09-21	2024-09-26
US7405203	No	2008-07-29	2023-05-06
US7579321	No	2009-08-25	2023-05-06
US9919025	No	2018-03-20	2023-05-07
US9220747	No	2015-12-29	2023-05-07
US9504647	No	2016-11-29	2023-05-07
US9974826	No	2018-05-22	2030-04-13
US8802624	No	2014-08-12	2023-12-29
US7560429	No	2009-07-14	2024-02-02
US7947654	No	2011-05-24	2023-12-29
US10137167	No	2018-11-27	2029-05-21
US10307459	No	2019-06-04	2023-05-07

Additional Data Available

Filed On
Filed On
The date on which a patent was filed with the relevant government.
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Properties

State

Solid

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.11 mg/mL	ALOGPS
logP	-1	ALOGPS
logP	-6.1	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	9.5	ChemAxon
pKa (Strongest Basic)	11.77	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	14	ChemAxon
Polar Surface Area	435.41 Å2	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	279.78 m3·mol-1	ChemAxon
Polarizability	104.78 Å3	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	0	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted ADMET Features

Property	Value	Probability
Human Intestinal Absorption	+	0.7979
Blood Brain Barrier	-	0.8866
Caco-2 permeable	-	0.7612
P-glycoprotein substrate	Substrate	0.8242
P-glycoprotein inhibitor I	Non-inhibitor	0.7864
P-glycoprotein inhibitor II	Non-inhibitor	0.9237
Renal organic cation transporter	Non-inhibitor	0.5915
CYP450 2C9 substrate	Non-substrate	0.7833
CYP450 2D6 substrate	Non-substrate	0.7901
CYP450 3A4 substrate	Non-substrate	0.5497
CYP450 1A2 substrate	Non-inhibitor	0.8383
CYP450 2C9 inhibitor	Non-inhibitor	0.7906
CYP450 2D6 inhibitor	Non-inhibitor	0.8735
CYP450 2C19 inhibitor	Non-inhibitor	0.765
CYP450 3A4 inhibitor	Non-inhibitor	0.7663
CYP450 inhibitory promiscuity	Low CYP Inhibitory Promiscuity	0.9331
Ames test	Non AMES toxic	0.6679
Carcinogenicity	Non-carcinogens	0.8428
Biodegradation	Not ready biodegradable	0.9445
Rat acute toxicity	2.7183 LD50, mol/kg	Not applicable
hERG inhibition (predictor I)	Weak inhibitor	0.83
hERG inhibition (predictor II)	Inhibitor	0.6036

ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)

Not Available

Spectra

Not Available

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Drug created on June 13, 2005 07:24 / Updated on August 02, 2020 22:18