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]
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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: CHEBI:32039
CAS Number: 150408-73-4
TTD ID: D0RL4M

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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).