Details of the Drug

General Information of Drug (ID: DM0NTA3)

Drug Name

(4-phenylpiperazin-1-yl)(p-tolyl)methanone

Synonyms

(4-Phenyl-piperazin-1-yl)-p-tolyl-methanone; piperazine, a2; Cambridge id 5345452; AC1LF9G0; Oprea1_767331; Oprea1_285639; CHEMBL239457; SCHEMBL10721885; BDBM25773; MolPort-001-016-695; ZINC196133; HMS1676A12; STK020131; AKOS000671240; MCULE-2746904510; BAS 00500757; 4-methylphenyl 4-phenylpiperazinyl ketone; ST50682677; AB00081719-01; 1-[(4-methylphenyl)carbonyl]-4-phenylpiperazine; SR-01000406866; (4-methylphenyl)(4-phenylpiperazin-1-yl)methanone; (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone

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)

280.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H20N2O
IUPAC Name: (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
Canonical SMILES: CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3
InChI: InChI=1S/C18H20N2O/c1-15-7-9-16(10-8-15)18(21)20-13-11-19(12-14-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKey: MPTWQLUMMRYFPO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 749125
CAS Number: 219989-26-1
TTD ID: D0I1RG

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.