Details of the Drug

General Information of Drug (ID: DM8PTNR)

Drug Name

4'-(trifluoromethyl)-4-biphenylyl sulfamate

Synonyms

CHEMBL396794; SCHEMBL4665444; ZINC28711937; BDBM50220172; 4''-(trifluoromethyl)-4-biphenylyl sulfamate

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)

317.29

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C13H10F3NO3S
IUPAC Name: [4-[4-(trifluoromethyl)phenyl]phenyl] sulfamate
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)OS(=O)(=O)N)C(F)(F)F
InChI: InChI=1S/C13H10F3NO3S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-21(17,18)19/h1-8H,(H2,17,18,19)
InChIKey: CRJUOWWINLUIRE-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.