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]
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]
Molecular Interaction Atlas (MIA) 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.