Details of the Drug

General Information of Drug (ID: DMX681M)

Drug Name

4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole

Synonyms

4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE; Disubstituted imidazole 1; AC1L9J9C; CHEMBL66526; SCHEMBL4319860; BDBM8738; DB03030; 1-(4-methylbenzyl)-4-(2-thienyl)-1h-imidazole; 1-(4-methylbenzyl)-4-thiophen-2-yl-1H-imidazole; 1-[(4-methylphenyl)methyl]-4-thiophen-2-ylimidazole; 1-[(4-methylphenyl)methyl]-4-(thiophen-2-yl)imidazole

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)

254.4

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H14N2S
IUPAC Name: 1-[(4-methylphenyl)methyl]-4-thiophen-2-ylimidazole
Canonical SMILES: CC1=CC=C(C=C1)CN2C=C(N=C2)C3=CC=CS3
InChI: InChI=1S/C15H14N2S/c1-12-4-6-13(7-5-12)9-17-10-14(16-11-17)15-3-2-8-18-15/h2-8,10-11H,9H2,1H3
InChIKey: UMOFOLLUKPBVQG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 446185
DrugBank ID: DB03030
TTD ID: D0B3UG

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]
Plasmodium Enoyl-ACP reductase (Malaria fabI)	TTNX2CS	Q965D5_PLAFA	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.