Details of the Drug

General Information of Drug (ID: DMPCFA6)

Drug Name

5-(3-Phenyl-propyl)-1H-pyrazole-3-carboxylic acid

Synonyms

CHEMBL129326; 5-(3-Phenyl-propyl)-1H-pyrazole-3-carboxylic acid; ZINC13526614

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)

230.26

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H14N2O2
IUPAC Name: 5-(3-phenylpropyl)-1H-pyrazole-3-carboxylic acid
Canonical SMILES: C1=CC=C(C=C1)CCCC2=CC(=NN2)C(=O)O
InChI: InChI=1S/C13H14N2O2/c16-13(17)12-9-11(14-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,15)(H,16,17)
InChIKey: JDCXDGHZXKZHQL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acid receptor (HCAR2)	TTWNV8U	HCAR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Pyrazole derivatives as partial agonists for the nicotinic acid receptor. J Med Chem. 2003 Aug 28;46(18):3945-51.