Details of the Drug

General Information of Drug (ID: DMP43IR)

Drug Name
Pranazepide
Synonyms
Pranazepide; UNII-10TO0RP68C; FK 480; FK-480; 150408-73-4; FR-120480; FR 120480; CHEMBL300072; 10TO0RP68C; Panazepide; Pranazepide [INN:JAN]; NCGC00183009-01; NCGC00183006-01; Panazepide (JAN); AC1L31TI; DSSTox_RID_82980; DSSTox_CID_28711; DSSTox_GSID_48785; GTPL874; SCHEMBL2110207; DTXSID8048785; CHEBI:32039; ZINC3798924; Tox21_113262; PDSP2_000866; BDBM50290400; PDSP1_000880; N-(1-(2-Fluorophenyl)-3,4,6,7-tetrahydro-4-oxo-pyrrolo(3,2,1-jk)(1,4)benzodiazepin-3-yl)-1H-indole-2-carboxamide; CAS-150408-73-4; D01858
Indication
Disease Entry ICD 11 Status REF
Pancreatic malfunction DC30-DC3Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 438.5
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C26H19FN4O2
IUPAC Name
N-[(11S)-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide
Canonical SMILES
C1CN2C(=O)[C@H](N=C(C3=CC=CC1=C32)C4=CC=CC=C4F)NC(=O)C5=CC6=CC=CC=C6N5
InChI
InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1
InChIKey
WKJDXKWFGJWGAS-XMMPIXPASA-N
Cross-matching ID
PubChem CID
132916
ChEBI ID
CHEMBL32039
CAS Number
150408-73-4
TTD ID
D0RL4M
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cholecystokinin receptor type A (CCKAR) TTCG0AL CCKAR_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Pancreatic malfunction
ICD Disease Classification DC30-DC3Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cholecystokinin receptor type A (CCKAR) DTT CCKAR 9.99E-01 -0.03 -0.2
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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: 874).
2 Dual CCK-A and -B receptor antagonists (I) C9-methyl-1,4-benzodiazepines, Bioorg. Med. Chem. Lett. 7(2):169-174 (1997).