Details of the Drug

General Information of Drug (ID: DMDCOSP)

Drug Name
OPC-51803
Synonyms SOU-003; 2-[1-[2-Chloro-4-(1-pyrrolidinyl)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepin-5(R)-yl]-N-isopropylacetamide
Indication
Disease Entry ICD 11 Status REF
Urinary incontinence MF50.2 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 454
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C26H32ClN3O2
IUPAC Name
2-[(5R)-1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-propan-2-ylacetamide
Canonical SMILES
CC(C)NC(=O)C[C@H]1CCCN(C2=CC=CC=C12)C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl
InChI
InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m1/s1
InChIKey
INGXCNVWWKKWOO-LJQANCHMSA-N
Cross-matching ID
PubChem CID
3038506
CAS Number
192514-54-8
DrugBank ID
DB05838
TTD ID
D0AV0O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Vasopressin V2 receptor (V2R) TTK8R02 V2R_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2173).
2 Effects of OPC-51803, a novel, nonpeptide vasopressin V2-receptor agonist, on micturition frequency in Brattleboro and aged rats. J Pharmacol Sci. 2003 Dec;93(4):484-8.