Details of the Drug

General Information of Drug (ID: DMJI6AM)

Drug Name
4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE
Synonyms
4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE; 156336-70-8; 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidine; CHEMBL75691; 4-(5-(4-chlorophenyl)-1H-pyrazol-3-yl)piperidine; L02; 1way; AC1L9MRB; Bionet2_000947; Oprea1_423246; MLS000706783; SCHEMBL2598428; KS-00001ZEP; MolPort-001-684-207; GELALLNTKKLQLM-UHFFFAOYSA-N; HMS2660H19; HMS1366L01; ZINC5974200; BDBM50059237; AKOS015868501; AKOS023968186; DB08061; MCULE-8931017804; SMR000334280; FT-0741308; 7L-015; 3-(4-Piperidinyl)-5-(4-chlorophenyl)pyrazole
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): 0 Molecular Weight (mw) 261.75
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H16ClN3
IUPAC Name
4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
Canonical SMILES
C1CNCCC1C2=CC(=NN2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2,(H,17,18)
InChIKey
GELALLNTKKLQLM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
449126
ChEBI ID
CHEMBL75691
UNII
3M2B2SQW0I
DrugBank ID
DB08061
TTD ID
D09CVG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Coagulation factor IIa (F2) TT6L509 THRB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.