Details of the Drug

General Information of Drug (ID: DMJBQD8)

Drug Name

2-tert-butyl-7-(trifluoromethyl)-9H-carbazole

Synonyms

CHEMBL1171079; 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole; ZINC53230612

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): 1

Molecular Weight (mw)

291.31

Logarithm of the Partition Coefficient (xlogp)

5.9

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H16F3N
IUPAC Name: 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)C3=C(N2)C=C(C=C3)C(F)(F)F
InChI: InChI=1S/C17H16F3N/c1-16(2,3)10-4-6-12-13-7-5-11(17(18,19)20)9-15(13)21-14(12)8-10/h4-9,21H,1-3H3
InChIKey: XAQHCEWJSXOCDT-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.