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]
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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
TTD ID: D07XQR

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.