Details of the Drug

General Information of Drug (ID: DMT03VB)

Drug Name
VP-343
Synonyms VP-343
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 503.6
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C32H29N3O3
IUPAC Name
N-[4-[(2S,3aR)-2-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carbonyl]phenyl]-2-(4-methylphenyl)benzamide
Canonical SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4C[C@H]5C[C@@H](CN5C6=CC=CC=C64)O
InChI
InChI=1S/C32H29N3O3/c1-21-10-12-22(13-11-21)27-6-2-3-7-28(27)31(37)33-24-16-14-23(15-17-24)32(38)35-19-25-18-26(36)20-34(25)29-8-4-5-9-30(29)35/h2-17,25-26,36H,18-20H2,1H3,(H,33,37)/t25-,26+/m1/s1
InChIKey
UACMTQPSUBFZOR-FTJBHMTQSA-N
Cross-matching ID
PubChem CID
9914030
TTD ID
D0ZJ5K

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 Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Nonpeptide vasopressin receptor antagonists: development of selective and orally active V1a, V2 and V1b receptor ligands. Prog Brain Res. 2002;139:197-210.