This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Relcovaptan
Accession Number
DB13929
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
SR 49059 / SR-49059 / SR49059 / TDI-0134
Categories
UNII
C1GL8G6G0O
CAS number
150375-75-0
Weight
Average: 620.5
Monoisotopic: 619.0946768
Chemical Formula
C28H27Cl2N3O7S
InChI Key
CEBYCSRFKCEUSW-NAYZPBBASA-N
InChI
InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1
IUPAC Name
(2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxybenzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidine-2-carboxamide
SMILES
COC1=CC=C(C=C1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1Cl

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UOxytocin receptor
antagonist
Human
UVasopressin V1a receptor
antagonist
Human
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AbciximabRelcovaptan may increase the anticoagulant activities of Abciximab.
Acetylsalicylic acidThe risk or severity of adverse effects can be increased when Relcovaptan is combined with Acetylsalicylic acid.
AloxiprinThe risk or severity of adverse effects can be increased when Relcovaptan is combined with Aloxiprin.
AlteplaseRelcovaptan may increase the anticoagulant activities of Alteplase.
Aminosalicylic AcidThe risk or severity of adverse effects can be increased when Relcovaptan is combined with Aminosalicylic Acid.
AnagrelideRelcovaptan may increase the anticoagulant activities of Anagrelide.
AndrographolideAndrographolide may increase the antiplatelet activities of Relcovaptan.
AnistreplaseRelcovaptan may increase the anticoagulant activities of Anistreplase.
ApixabanThe risk or severity of adverse effects can be increased when Relcovaptan is combined with Apixaban.
ApixabanThe risk or severity of adverse effects can be increased when Relcovaptan is combined with Apixaban.
Food Interactions
Not Available

References

General References
  1. Ponzoni L, Braida D, Bondiolotti G, Sala M: The Non-Peptide Arginine-Vasopressin v1a Selective Receptor Antagonist, SR49059, Blocks the Rewarding, Prosocial, and Anxiolytic Effects of 3,4-Methylenedioxymethamphetamine and Its Derivatives in Zebra Fish. Front Psychiatry. 2017 Aug 14;8:146. doi: 10.3389/fpsyt.2017.00146. eCollection 2017. [PubMed:28855876]
External Links
ChemSpider
54910
BindingDB
50114031
ChEBI
93701
ChEMBL
CHEMBL419667
Wikipedia
Relcovaptan

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00767 mg/mLALOGPS
logP3.74ALOGPS
logP2.83ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)7.72ChemAxon
pKa (Strongest Basic)-3.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area139.47 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity152.18 m3·mol-1ChemAxon
Polarizability59.59 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
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

Taxonomy

Classification
Not classified

Targets

Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Antagonist
General Function
Vasopressin receptor activity
Specific Function
Receptor for oxytocin. The activity of this receptor is mediated by G proteins which activate a phosphatidylinositol-calcium second messenger system.
Gene Name
OXTR
Uniprot ID
P30559
Uniprot Name
Oxytocin receptor
Molecular Weight
42770.99 Da
References
  1. Akerlund M, Bossmar T, Brouard R, Kostrzewska A, Laudanski T, Lemancewicz A, Serradeil-Le Gal C, Steinwall M: Receptor binding of oxytocin and vasopressin antagonists and inhibitory effects on isolated myometrium from preterm and term pregnant women. Br J Obstet Gynaecol. 1999 Oct;106(10):1047-53. [PubMed:10519430]
  2. Pierzynski P: Oxytocin and vasopressin V(1A) receptors as new therapeutic targets in assisted reproduction. Reprod Biomed Online. 2011 Jan;22(1):9-16. doi: 10.1016/j.rbmo.2010.09.015. Epub 2010 Oct 14. [PubMed:21130036]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Antagonist
General Function
Vasopressin receptor activity
Specific Function
Receptor for arginine vasopressin. The activity of this receptor is mediated by G proteins which activate a phosphatidyl-inositol-calcium second messenger system. Has been involved in social behavi...
Gene Name
AVPR1A
Uniprot ID
P37288
Uniprot Name
Vasopressin V1a receptor
Molecular Weight
46799.105 Da
References
  1. Akerlund M, Bossmar T, Brouard R, Kostrzewska A, Laudanski T, Lemancewicz A, Serradeil-Le Gal C, Steinwall M: Receptor binding of oxytocin and vasopressin antagonists and inhibitory effects on isolated myometrium from preterm and term pregnant women. Br J Obstet Gynaecol. 1999 Oct;106(10):1047-53. [PubMed:10519430]
  2. Pierzynski P: Oxytocin and vasopressin V(1A) receptors as new therapeutic targets in assisted reproduction. Reprod Biomed Online. 2011 Jan;22(1):9-16. doi: 10.1016/j.rbmo.2010.09.015. Epub 2010 Oct 14. [PubMed:21130036]

Drug created on December 06, 2017 18:19 / Updated on October 01, 2018 15:40