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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.