Details of the Drug

General Information of Drug (ID: DMEQZ5M)

• Drug Name: (4-benzylpiperidin-1-yl)(3-chlorophenyl)methanone
• Synonyms: (4-benzylpiperidin-1-yl)(3-chlorophenyl)methanone; (4-Benzyl-piperidin-1-yl)-(3-chloro-phenyl)-methanone; piperidine, b1; Oprea1_631709; Oprea1_092044; AC1LG526; CHEMBL240318; SCHEMBL17730065; BDBM25790; MolPort-001-632-510; GHPWLZRRFXHNMA-UHFFFAOYSA-N; ZINC327248; STK093701; AKOS000612405; MCULE-5547370853; 3-chlorophenyl 4-benzylpiperidyl ketone; BAS 00406738; ST50299727; 4-benzyl-1-[(3-chlorophenyl)carbonyl]piperidine; AB00087773-01; SR-01000478204; SR-01000478204-1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 313.8
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C19H20ClNO
  IUPAC Name: (4-benzylpiperidin-1-yl)-(3-chlorophenyl)methanone
  Canonical SMILES: C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Cl
  InChI: InChI=1S/C19H20ClNO/c20-18-8-4-7-17(14-18)19(22)21-11-9-16(10-12-21)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2
  InChIKey: GHPWLZRRFXHNMA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 814705
  TTD ID: D0ZM1Q

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Fatty acid synthetase I (Bact inhA)	TTVTX4N	INHA_MYCTU	Inhibitor	[1]

References

• [1] Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamides. Bioorg Med Chem. 2007 Nov 1;15(21):6649-58.