Details of the Drug

General Information of Drug (ID: DMT81SD)

Drug Name

4'-trifluoromethyl-biphenyl-4-ylamine

Synonyms

57688-34-3; 4'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine; 4'-trifluoromethylbiphenyl-4-ylamine; 4-[4-(trifluoromethyl)phenyl]aniline; 4'-trifluoromethyl-biphenyl-4-ylamine; [1,1'-biphenyl]-4-amine, 4'-(trifluoromethyl)-; CHEMBL242142; 4'-(trifluoromethyl)biphenyl-4-amine; 4'-(trifluoromethyl)[1,1'-biphenyl]-4-amine; [1,1'-Biphenyl]-4-amine,4'-(trifluoromethyl)-; ACMC-1AWVA; AC1MD2WS; SCHEMBL2655246; CTK5A7284; DTXSID50382227; PDKIAMYXBRKPBW-UHFFFAOYSA-N; MolPort-000-159-036; 4-amino-4'-trifluoromethyldiphenyl; ZINC2574122

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)

237.22

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H10F3N
IUPAC Name: 4-[4-(trifluoromethyl)phenyl]aniline
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N)C(F)(F)F
InChI: InChI=1S/C13H10F3N/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(17)8-4-10/h1-8H,17H2
InChIKey: PDKIAMYXBRKPBW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2782709
CAS Number: 57688-34-3
TTD ID: D0TN1F

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)

MIA Detail

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.