conivaptan   

GtoPdb Ligand ID: 2203

Synonyms: Vaprisol® | YM-087 | YM087
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.
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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)
InChI Key IKENVDNFQMCRTR-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2005))
IUPAC Name
N-[4-(2-methyl4,5-dihydro-3H-imidazo[5,4-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
International Nonproprietary Names
INN number INN
7947 conivaptan
Synonyms
Vaprisol® | YM-087 | YM087
Database Links
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
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Wikipedia Conivaptan

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Tocris
Conivaptan hydrochloride
Cat. No. 6830