Details of the Drug

General Information of Drug (ID: DMBVCLY)

Drug Name

3-chloro-N-(4-(phenyldiazenyl)phenyl)benzamide

Synonyms

CHEMBL566920; 3-chloro-N-(4-(phenyldiazenyl)phenyl)benzamide; 3-chloro-N-[4-(phenyldiazenyl)phenyl]benzamide; AC1MEGAF; MLS000571688; CHEMBL1585037; MolPort-002-176-797; HMS2431J18; ZINC18006916; BDBM50303375; AKOS002249913; MCULE-8045658796; SMR000193697; 3-chloro-N-(4-phenyldiazenylphenyl)benzamide; ST50752429

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)

335.8

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H14ClN3O
IUPAC Name: 3-chloro-N-(4-phenyldiazenylphenyl)benzamide
Canonical SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C19H14ClN3O/c20-15-6-4-5-14(13-15)19(24)21-16-9-11-18(12-10-16)23-22-17-7-2-1-3-8-17/h1-13H,(H,21,24)
InChIKey: BVHXJXQDOFAUQY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2877914
TTD ID: D0L7GI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Trypanosoma Cruzipain (Trypano CYSP)	TTEAID7	CYSP_TRYCR	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem. 2010 Jan 14;53(1):37-51.