Details of the Drug

General Information of Drug (ID: DMAWC7S)

Drug Name

3-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide

Synonyms

3-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide; CHEMBL61222; AC1LFIX3; Oprea1_263322; Oprea1_095427; SCHEMBL2754070; 2-[(3-chlorophenyl)carboxamido]-4-phenyl-1,3-thiazole; OHXHEHNTSIBWMV-UHFFFAOYSA-N; MolPort-001-997-617; ZINC208080; BDBM50101789; AKOS000651093; MCULE-4878334658; BAS 04456777; 50591-72-5; N-(4-Phenyl-2-thiazolyl)-3-chlorobenzamide

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): 0

Molecular Weight (mw)

314.8

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H11ClN2OS
IUPAC Name: 3-chloro-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)Cl
InChI: InChI=1S/C16H11ClN2OS/c17-13-8-4-7-12(9-13)15(20)19-16-18-14(10-21-16)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChIKey: OHXHEHNTSIBWMV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 754492
TTD ID: D0YB3X

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.