Details of the Drug

General Information of Drug (ID: DM0ARP8)

Drug Name

N-(4'-chloro-4-biphenylyl)methanesulfonamide

Synonyms

CHEMBL242150; SCHEMBL4661119; BDBM50220160; ZINC28711996

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)

281.76

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H12ClNO2S
IUPAC Name: N-[4-(4-chlorophenyl)phenyl]methanesulfonamide
Canonical SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C13H12ClNO2S/c1-18(16,17)15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9,15H,1H3
InChIKey: XUCHFNFYOSJPDH-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Kinesin spindle messenger RNA (KIF11 mRNA)	TTBGTCW	KIF11_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Novel ATP-competitive kinesin spindle protein inhibitors. J Med Chem. 2007 Oct 4;50(20):4939-52.