Details of the Drug

General Information of Drug (ID: DMITN82)

Drug Name

N-[4-(1,3-benzodioxol-5-yl)phenyl]sulfamide

Synonyms

CHEMBL242180; N-[4-(1,3-benzodioxol-5-yl)phenyl]sulfamide; SCHEMBL5535049

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)

292.31

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C13H12N2O4S
IUPAC Name: 5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)N
InChI: InChI=1S/C13H12N2O4S/c14-20(16,17)15-11-4-1-9(2-5-11)10-3-6-12-13(7-10)19-8-18-12/h1-7,15H,8H2,(H2,14,16,17)
InChIKey: ZFMUZDFMEJBCPQ-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.