Details of the Drug

General Information of Drug (ID: DMWHYOJ)

Drug Name

N-(4'-bromo-3,3'-difluoro-4-biphenylyl)urea

Synonyms

CHEMBL244510; SCHEMBL5436772; BDBM50220178

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)

327.12

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H9BrF2N2O
IUPAC Name: [4-(4-bromo-3-fluorophenyl)-2-fluorophenyl]urea
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)F)F)NC(=O)N
InChI: InChI=1S/C13H9BrF2N2O/c14-9-3-1-7(5-10(9)15)8-2-4-12(11(16)6-8)18-13(17)19/h1-6H,(H3,17,18,19)
InChIKey: SKBUTANQYXWCNX-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.