Details of the Drug

General Information of Drug (ID: DMKLTD5)

Drug Name

9-methyl-2-(trifluoromethyl)-9H-carbazole

Synonyms

CHEMBL1173162; 9-methyl-2-(trifluoromethyl)-9H-carbazole; ZINC53295380

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)

249.23

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H10F3N
IUPAC Name: 9-methyl-2-(trifluoromethyl)carbazole
Canonical SMILES: CN1C2=CC=CC=C2C3=C1C=C(C=C3)C(F)(F)F
InChI: InChI=1S/C14H10F3N/c1-18-12-5-3-2-4-10(12)11-7-6-9(8-13(11)18)14(15,16)17/h2-8H,1H3
InChIKey: XEEUWRNTJAAJOP-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.