Details of the Drug

General Information of Drug (ID: DMTF8US)

Drug Name

N-(5-Benzoyl-4-phenylthiazol-2-yl)benzamide

Synonyms

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide; CHEMBL600232; N-(5-Benzoyl-4-phenylthiazol-2-yl)benzamide; 305851-70-1; AC1LJXJU; Oprea1_574683; MolPort-000-184-059; ZINC626960; BDBM50308494; AKOS001011200; MCULE-6547152460; AB00666822-01; AQ-360/10877054

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)

384.5

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C23H16N2O2S
IUPAC Name: N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H16N2O2S/c26-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-23(28-21)25-22(27)18-14-8-3-9-15-18/h1-15H,(H,24,25,27)
InChIKey: PCQHQQZQXRSVDE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 981611
TTD ID: D0B3NZ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.