Details of the Drug

General Information of Drug (ID: DMLFZ6Q)

Drug Name

4-tert-Butyl-N-(4-phenyl-thiazol-2-yl)-benzamide

Synonyms

4-tert-Butyl-N-(4-phenyl-thiazol-2-yl)-benzamide; CHEMBL293635; 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide; BAS 03572060; AC1Q1LYP; AC1LGN92; Oprea1_621031; Oprea1_258896; MolPort-001-030-330; ZINC342768; BDBM50101785; STK401915; AKOS000569708; MCULE-2080665457; ST50017828; N-(4-Phenyl-2-thiazolyl)-4-tert-butylbenzamide; AG-690/09665053

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): 1

Molecular Weight (mw)

336.5

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H20N2OS
IUPAC Name: 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3
InChI: InChI=1S/C20H20N2OS/c1-20(2,3)16-11-9-15(10-12-16)18(23)22-19-21-17(13-24-19)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,22,23)
InChIKey: JXOGYJOCFUSOPS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 824266
TTD ID: D04QAD

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.