Details of the Drug

General Information of Drug (ID: DMDL8KY)

Drug Name

2-(trifluoromethoxy)-9H-carbazole

Synonyms

CHEMBL1171980; 2-(trifluoromethoxy)-9H-carbazole

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)

251.2

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H8F3NO
IUPAC Name: 2-(trifluoromethoxy)-9H-carbazole
Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)OC(F)(F)F
InChI: InChI=1S/C13H8F3NO/c14-13(15,16)18-8-5-6-10-9-3-1-2-4-11(9)17-12(10)7-8/h1-7,17H
InChIKey: AKPHYUFLAWJLFA-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	Kinesin spindle protein (KSP) inhibitors with 2,3-fused indole scaffolds. J Med Chem. 2010 Jul 8;53(13):5054-8.