Details of the Drug

General Information of Drug (ID: DMD5F6Z)

Drug Name

N-[4'-(ethylsulfonyl)-3-fluoro-4-biphenylyl]urea

Synonyms

CHEMBL244512; BDBM50220161

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)

322.4

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H15FN2O3S
IUPAC Name: [4-(4-ethylsulfonylphenyl)-2-fluorophenyl]urea
Canonical SMILES: CCS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)N)F
InChI: InChI=1S/C15H15FN2O3S/c1-2-22(20,21)12-6-3-10(4-7-12)11-5-8-14(13(16)9-11)18-15(17)19/h3-9H,2H2,1H3,(H3,17,18,19)
InChIKey: FGSMXSWRTDKBBK-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.