Details of the Drug

General Information of Drug (ID: DMN8W1H)

Drug Name

2-ethyl-9H-carbazole

Synonyms

2-ethyl-9H-carbazole; 9H-Carbazole, 2-ethyl-; CHEMBL1171435; 106551-62-6; SCHEMBL278610; AC1L3D11; BDBM50322582

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)

195.26

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

0

Chemical Identifiers

Formula: C14H13N
IUPAC Name: 2-ethyl-9H-carbazole
Canonical SMILES: CCC1=CC2=C(C=C1)C3=CC=CC=C3N2
InChI: InChI=1S/C14H13N/c1-2-10-7-8-12-11-5-3-4-6-13(11)15-14(12)9-10/h3-9,15H,2H2,1H3
InChIKey: MLTJHZTUKWUPTG-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.