Details of the Drug

General Information of Drug (ID: DMCTZFP)

Drug Name

N-[4'-(trifluoromethyl)-4-biphenylyl]sulfamide

Synonyms

CHEMBL390629; N-[4'-(trifluoromethyl)-4-biphenylyl]sulfamide; SCHEMBL5531754; WELQTBDQZUFHMC-UHFFFAOYSA-N; ZINC28711911; BDBM50220182

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)

316.3

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C13H11F3N2O2S
IUPAC Name: 1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)NS(=O)(=O)N)C(F)(F)F
InChI: InChI=1S/C13H11F3N2O2S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-21(17,19)20/h1-8,18H,(H2,17,19,20)
InChIKey: WELQTBDQZUFHMC-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]

------------------------------------------------------------------------------------

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.