Details of the Drug

General Information of Drug (ID: DMZVBLT)

Drug Name

Methyl[4'-(trifluoromethyl)-4-biphenylyl]amine

Synonyms

CHEMBL243640; SCHEMBL5428301; KPEUWXDPXPGBFC-UHFFFAOYSA-N; ZINC28711877; BDBM50220158; AKOS023382952; N-methyl-4'-(trifluoromethyl)-4-biphenylamine

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)

251.25

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H12F3N
IUPAC Name: N-methyl-4-[4-(trifluoromethyl)phenyl]aniline
Canonical SMILES: CNC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C14H12F3N/c1-18-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15,16)17/h2-9,18H,1H3
InChIKey: KPEUWXDPXPGBFC-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.