Details of the Drug

General Information of Drug (ID: DMKZUWY)

Drug Name

4-Nitro-N-(4-phenyl-thiazol-2-yl)-benzamide

Synonyms

4-Nitro-N-(4-phenyl-thiazol-2-yl)-benzamide; CHEMBL60027; 4-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide; AC1LEVE1; Oprea1_616019; Oprea1_578616; Oprea1_274027; MolPort-001-016-564; ZINC1506439; BDBM50101782; STK401913; AKOS000523323; MCULE-9071819567; BAS 00417263; N-(4-Phenyl-2-thiazolyl)-4-nitrobenzamide; ST50002539; SR-01000394982; SR-01000394982-1

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)

325.3

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H11N3O3S
IUPAC Name: 4-nitro-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)[N+](=O)[O-]
InChI: InChI=1S/C16H11N3O3S/c20-15(12-6-8-13(9-7-12)19(21)22)18-16-17-14(10-23-16)11-4-2-1-3-5-11/h1-10H,(H,17,18,20)
InChIKey: LLSUVHOZHQEGJS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 718622
TTD ID: D0H3QX

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.