conivaptan   Click here for help

GtoPdb Ligand ID: 2203

Synonyms: Vaprisol® | YM-087 | YM087
Approved drug
conivaptan is an approved drug (FDA (2005))
Compound class: Synthetic organic
Comment: Conivaptan is a non-peptide vasopressin receptor antagonist. It antagonises the V1A and V2 receptors but does not inhibit V1B receptor activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 78.09
Molecular weight 498.21
XLogP 6.25
No. Lipinski's rules broken 1
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Canonical SMILES Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1
Isomeric SMILES Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1
InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2005))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7947 conivaptan
Synonyms Click here for help
Vaprisol® | YM-087 | YM087
Database Links Click here for help
BindingDB Ligand 50319771
CAS Registry No. 210101-16-9
ChEMBL Ligand CHEMBL1755
DrugBank Ligand DB00872
DrugCentral Ligand 732
GtoPdb PubChem SID 135651340
PubChem CID 151171
Search Google for chemical match using the InChIKey IKENVDNFQMCRTR-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey IKENVDNFQMCRTR-UHFFFAOYSA-N
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Conivaptan hydrochloride
Cat. No. 6830