Details of the Drug

General Information of Drug (ID: DMMWZLC)

Drug Name

4'-(trifluoromethyl)-4-biphenylol

Synonyms

10355-13-2; 4-(4-TRIFLUOROMETHYLPHENYL)PHENOL; 4'-(Trifluoromethyl)[1,1'-biphenyl]-4-ol; CHEMBL244264; 4'-(trifluoromethyl)biphenyl-4-ol; 4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-ol; [1,1'-Biphenyl]-4-ol, 4'-(trifluoromethyl)-; ACMC-1BRC7; SCHEMBL678508; CTK0D8481; DTXSID50573870; 4'-Trifluoromethyl-biphenyl-4-ol; AFPOYLCQXONCPX-UHFFFAOYSA-N; ZINC13840578; BDBM50220207; 4'-(trifluoromethyl) biphenyl-4-ol; 4''-(trifluoromethyl)-4-biphenylol; ANW-14928; AKOS004116417; SEL12447598; 4-hydroxy-4'-(trifluoromethyl)biphenyl; AJ-64481

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)

238.2

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H9F3O
IUPAC Name: 4-[4-(trifluoromethyl)phenyl]phenol
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)O)C(F)(F)F
InChI: InChI=1S/C13H9F3O/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(17)8-4-10/h1-8,17H
InChIKey: AFPOYLCQXONCPX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 15541180
CAS Number: 10355-13-2
TTD ID: D0W4GY

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.