CONIVAPTAN

Search structure
Synonyms:
Status: Approved (2005)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C03XA02
UNII: 0NJ98Y462X

Structure
InChI Key IKENVDNFQMCRTR-UHFFFAOYSA-N
Smile Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H26N4O2
Molecular Weight 498.59
AlogP 6.51
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 78.09
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 38.0

Pharmacology

Primary Target
V1A receptor
V2 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - - 499
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 17
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 75
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Vasopressin and oxytocin receptor
- 11 - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hyponatremia 3 D007010 ClinicalTrials
Liver Cirrhosis 2 D008103 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Brain Injuries 1 D001930 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 210101-16-9
ChEBI 681850
ChEMBL CHEMBL1755
DrugBank DB00872
DrugCentral 732
EPA CompTox DTXSID80175220
FDA SRS 0NJ98Y462X
Human Metabolome Database HMDB0015010
Guide to Pharmacology 2203
PharmGKB PA164742939
PubChem 151171
SureChEMBL SCHEMBL49815
ZINC ZINC000012503187
CONTENTS