Details of the Drug

General Information of Drug (ID: DMO4FSH)

Drug Name
2,4-Dichloro-N-(4-phenyl-thiazol-2-yl)-benzamide
Synonyms
CHEMBL61381; 2,4-Dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide; 260790-88-3; (Z)-2,4-dichloro-N-(4-phenylthiazol-2(3H)-ylidene)benzamide; 5307-12-0; AC1LCD3F; CBMicro_016815; Oprea1_161519; 2,4-Dichloro-N-(4-phenyl-thiazol-2-yl)-benzamide; ARONIS019647; KS-00004BJV; DTXSID00344799; MolPort-001-620-431; MWSDOEQEOIKHRL-UHFFFAOYSA-N; MolPort-003-009-221; ZINC4696587; CCG-5657; STK048438; BDBM50101786; AKOS000486711; AKOS024573981; MCULE-1720813827; ST036566; BIM-0016665.P001; N-(4-Phenyl-2-thiazolyl)-2,4-dichlorobenzamide
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) 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
2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N2OS/c17-11-6-7-12(13(18)8-11)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKey
MWSDOEQEOIKHRL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
599553
CAS Number
5307-12-0
TTD ID
D0T5FY

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.