Details of the Drug

General Information of Drug (ID: DMSF5DR)

Drug Name

4-Methyl-N-(4-phenyl-thiazol-2-yl)-benzamide

Synonyms

4-Methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide; CHEMBL294175; 4-Methyl-N-(4-phenyl-thiazol-2-yl)-benzamide; NERONVMZIDSIRT-UHFFFAOYSA-N; 87614-00-4; (Z)-4-methyl-N-(4-phenylthiazol-2(3H)-ylidene)benzamide; AC1Q2JVA; AC1LB6OY; Oprea1_598164; Oprea1_751162; Oprea1_000114; SCHEMBL233522; ARONIS019641; 2-[(4-methylphenyl)carboxamido]-4-phenyl-1,3-thiazole; KS-00004BJP; MolPort-003-009-217; MolPort-001-029-741; ZINC4031557; BDBM50101781; STK084905; AKOS024573976; AKOS000486758; MCULE-8350259880; ST036564

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)

294.4

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H14N2OS
IUPAC Name: 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3
InChI: InChI=1S/C17H14N2OS/c1-12-7-9-14(10-8-12)16(20)19-17-18-15(11-21-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)
InChIKey: NERONVMZIDSIRT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 577347
TTD ID: D0W0QF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Substituted 4-phenyl-2-(phenylcarboxamido)-1,3-thiazole derivatives as antagonists for the adenosine A(1) receptor. Bioorg Med Chem Lett. 2001 Aug 6;11(15):2017-9.