Details of the Drug

General Information of Drug (ID: DMRO7JX)

Drug Name
N1,N4-bis(5-chloro-2-methylphenyl)succinamide
Synonyms
CHEMBL566931; N,N'-bis(5-chloro-2-methylphenyl)butanediamide; N1,N4-bis(5-chloro-2-methylphenyl)succinamide; AC1LK29V; Cambridge id 7313591; Oprea1_225764; MLS000535625; cid_1010578; MolPort-001-547-717; ZINC670958; HMS2360E14; STK435362; BDBM50303376; AKOS003303190; MCULE-2700246651; SMR000143061; ST50923735; N,N'-bis(5-chloro-2-methylphenyl)succinamide
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) 365.2
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H18Cl2N2O2
IUPAC Name
N,N'-bis(5-chloro-2-methylphenyl)butanediamide
Canonical SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)NC2=C(C=CC(=C2)Cl)C
InChI
InChI=1S/C18H18Cl2N2O2/c1-11-3-5-13(19)9-15(11)21-17(23)7-8-18(24)22-16-10-14(20)6-4-12(16)2/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKey
GNEGOXDKOUMPJX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1010578
ChEBI ID
CHEMBL566931
TTD ID
D07XQR
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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.