Details of the Drug

General Information of Drug (ID: DM4RNOE)

Drug Name

3,4-Dichloro-N-(4-phenyl-thiazol-2-yl)-benzamide

Synonyms

CHEMBL293437; 3,4-Dichloro-N-(4-phenyl-thiazol-2-yl)-benzamide; 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide; AC1LF45X; Oprea1_772660; Oprea1_724335; ZINC73690; CCG-993; MolPort-001-949-151; BDBM50101784; STK017434; AKOS000519164; MCULE-6935310530; BAS 00860111; ST50005447; N-(4-Phenyl-2-thiazolyl)-3,4-dichlorobenzamide; Z27772110; (3,4-dichlorophenyl)-N-(4-phenyl(1,3-thiazol-2-yl))carboxamide

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)

349.2

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H10Cl2N2OS
IUPAC Name: 3,4-dichloro-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)Cl)Cl
InChI: InChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKey: AYVXSTQWLPUGKB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 697363
TTD ID: D0K2QF

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.