Details of the Drug

General Information of Drug (ID: DM3BL45)

Drug Name

3-methyl-6-(trifluoromethyl)-9H-carbazole

Synonyms

CHEMBL1172905; 3-methyl-6-(trifluoromethyl)-9H-carbazole; SCHEMBL10253400

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)

4.6

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H10F3N
IUPAC Name: 3-methyl-6-(trifluoromethyl)-9H-carbazole
Canonical SMILES: CC1=CC2=C(C=C1)NC3=C2C=C(C=C3)C(F)(F)F
InChI: InChI=1S/C14H10F3N/c1-8-2-4-12-10(6-8)11-7-9(14(15,16)17)3-5-13(11)18-12/h2-7,18H,1H3
InChIKey: KIKCAVCUKRAGJM-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.