Details of the Drug

General Information of Drug (ID: DMGMZV9)

Drug Name

2-(4-benzoylpiperidine-1-carbonyl)benzoic acid

Synonyms

CHEMBL571233; 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid; ASN 06584077; AC1LSF7A; HMS1695L15; ZINC1336805; BDBM50296427; AKOS000753095; SR-01000350200; 2-(4-Benzoyl-piperidine-1-carbonyl)-benzoic acid

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)

337.4

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H19NO4
IUPAC Name: 2-(4-benzoylpiperidine-1-carbonyl)benzoic acid
Canonical SMILES: C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)O
InChI: InChI=1S/C20H19NO4/c22-18(14-6-2-1-3-7-14)15-10-12-21(13-11-15)19(23)16-8-4-5-9-17(16)20(24)25/h1-9,15H,10-13H2,(H,24,25)
InChIKey: JLSQZICREOKKAN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1438175
TTD ID: D07RXJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carboxypeptidase B2 (CPB2)	TTP18AY	CBPB2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	A new type of five-membered heterocyclic inhibitors of basic metallocarboxypeptidases. Eur J Med Chem. 2009 Aug;44(8):3266-71.