Details of the Drug

General Information of Drug (ID: DMKHJBI)

Drug Name

1-(7-methyl-9H-carbazol-3-yl)ethanone

Synonyms

CHEMBL1173069; 1-(7-methyl-9H-carbazol-3-yl)ethanone

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)

223.27

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C15H13NO
IUPAC Name: 1-(7-methyl-9H-carbazol-3-yl)ethanone
Canonical SMILES: CC1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)C(=O)C
InChI: InChI=1S/C15H13NO/c1-9-3-5-12-13-8-11(10(2)17)4-6-14(13)16-15(12)7-9/h3-8,16H,1-2H3
InChIKey: YNKFXJJSPLSRRJ-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.