Details of the Drug

General Information of Drug (ID: DMHX4F2)

Drug Name

N-(4'-t-butyl-4-biphenylyl)urea

Synonyms

CHEMBL244126; SCHEMBL5425660; N-(4''-t-butyl-4-biphenylyl)urea; BDBM50220188

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)

268.35

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C17H20N2O
IUPAC Name: [4-(4-tert-butylphenyl)phenyl]urea
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)N
InChI: InChI=1S/C17H20N2O/c1-17(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)19-16(18)20/h4-11H,1-3H3,(H3,18,19,20)
InChIKey: CQQWFWURFCAFPP-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.