Details of the Drug

General Information of Drug (ID: DME4O5D)

• Drug Name: LUF-5433
• Synonyms: LUF-5433; CHEMBL60156; 15850-34-7; 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide; (Z)-4-methoxy-N-(4-phenylthiazol-2(3H)-ylidene)benzamide; AC1LDKPI; N-(4-phenylthiazol-2-yl)-4-methoxybenzamide; Oprea1_747035; Oprea1_074264; Oprea1_345855; AC1Q49Y1; SCHEMBL2753298; MolPort-001-029-705; MolPort-003-712-982; ZINC1508173; STK401912; BDBM50097431; AKOS001303429; AKOS024573980; MCULE-3254711297; ST042073; 4-methoxy-N-(4-phenylthiazol-2-yl)benzamide; 4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide; SR-01000394983; SR-01000394983-1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 310.4
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H14N2O2S
  IUPAC Name: 4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
  Canonical SMILES: COC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3
  InChI: InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
  InChIKey: FVWGKRAXWKLEHX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 668712
  TTD ID: D02VQK

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]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[1]

References

• [1] 2-Amino-5-benzoyl-4-phenylthiazoles: Development of potent and selective adenosine A1 receptor antagonists. Bioorg Med Chem. 2010 Mar 15;18(6):2195-2203.