NAV

Vodudeutentan

Identification

Generic Name
Vodudeutentan
DrugBank Accession Number
DB17410
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 643.822
Monoisotopic: 643.391402494
Chemical Formula
C34H51N5O7
Synonyms
  • BQ-788 free acid, di(methyl-d)-
  • D-norleucine, n-((cis-2,6-di(methyl-d)-1-piperidinyl)carbonyl)-4-methyl-l-leucyl-1-(methoxycarbonyl)-d-tryptophyl-
  • Vodudeutentan
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Vodudeutentan sodiumAAY8R26VDX2364572-10-9QCVIFBRTTLMEOV-UHFFFAOYSA-M

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
2YCH69X4OX
CAS number
2364365-83-1
InChI Key
LPAHKJMGDSJDRG-ZEYDBOQPSA-N
InChI
InChI=1S/C34H51N5O7/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t21-,22+,25-,26-,27+/m1/s1/i2D,3D
IUPAC Name
(2R)-2-[(2R)-2-[(2S)-2-{[(2R,6S)-2,6-di(2H1)methylpiperidine-1-carbonyl]amino}-4,4-dimethylpentanamido]-3-[1-(methoxycarbonyl)-1H-indol-3-yl]propanamido]hexanoic acid
SMILES
[2H]C[C@H]1CCC[C@@H](C[2H])N1C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](CC1=CN(C(=O)OC)C2=C1C=CC=C2)C(=O)N[C@H](CCCC)C(O)=O

References

General References
Not Available
ChemSpider
81367629

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00647 mg/mLALOGPS
logP3.43ALOGPS
logP4.62Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)3.79Chemaxon
pKa (Strongest Basic)-0.87Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area159.07 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity172.46 m3·mol-1Chemaxon
Polarizability68.87 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at January 05, 2023 20:39 / Updated at September 28, 2023 05:47