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]
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
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.