Details of the Drug

General Information of Drug (ID: DMKZUWY)

Drug Name
4-Nitro-N-(4-phenyl-thiazol-2-yl)-benzamide
Synonyms
4-Nitro-N-(4-phenyl-thiazol-2-yl)-benzamide; CHEMBL60027; 4-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide; AC1LEVE1; Oprea1_616019; Oprea1_578616; Oprea1_274027; MolPort-001-016-564; ZINC1506439; BDBM50101782; STK401913; AKOS000523323; MCULE-9071819567; BAS 00417263; N-(4-Phenyl-2-thiazolyl)-4-nitrobenzamide; ST50002539; SR-01000394982; SR-01000394982-1
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) 325.3
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H11N3O3S
IUPAC Name
4-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H11N3O3S/c20-15(12-6-8-13(9-7-12)19(21)22)18-16-17-14(10-23-16)11-4-2-1-3-5-11/h1-10H,(H,17,18,20)
InChIKey
LLSUVHOZHQEGJS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
718622
TTD ID
D0H3QX

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.