Details of the Drug

General Information of Drug (ID: DMPVKWG)

Drug Name

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

Synonyms

CHEMBL243885; N-[4'-(trifluoromethyl)-4-biphenylyl]thiourea; SCHEMBL5427766; VTGXCQVBAHHGLK-UHFFFAOYSA-N; BDBM50220195

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)

296.31

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H11F3N2S
IUPAC Name: [4-[4-(trifluoromethyl)phenyl]phenyl]thiourea
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)NC(=S)N)C(F)(F)F
InChI: InChI=1S/C14H11F3N2S/c15-14(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)19-13(18)20/h1-8H,(H3,18,19,20)
InChIKey: VTGXCQVBAHHGLK-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.