Details of the Drug

General Information of Drug (ID: DMPA91F)

Drug Name
N-(4-Phenyl-thiazol-2-yl)-benzamide
Synonyms
CHEMBL60334; N-(4-phenyl-1,3-thiazol-2-yl)benzamide; N-(4-Phenyl-thiazol-2-yl)-benzamide; 14269-45-5; N-(4-phenylthiazol-2-yl)benzamide; Enamine_004302; AC1LF3YD; AC1Q5LQ8; Cambridge id 5149845; Oprea1_016303; Oprea1_462006; Oprea1_007140; CBDivE_004384; SCHEMBL1270375; SCHEMBL18874193; CTK0F0159; DTXSID10353610; MolPort-000-432-183; HMS1406D12; 2-(Benzoylamino)-4-phenylthiazole; ZINC18022084; BDBM50101790; STK972349; STK337540; AKOS002233837; AKOS000478692; MCULE-8414212509; Benzamide, N-(4-phenyl-2-thiazolyl)-; NCGC00262409-01; BAS 0
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): 0 Molecular Weight (mw) 280.3
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H12N2OS
IUPAC Name
N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2OS/c19-15(13-9-5-2-6-10-13)18-16-17-14(11-20-16)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)
InChIKey
NIRMZOKDACPPER-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
746475
CAS Number
14269-45-5
TTD ID
D00JXL
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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.