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]
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
PubChem CID
46855064
ChEBI ID
CHEMBL1172905
TTD ID
D0P9ZN

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]
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.