Details of the Drug

General Information of Drug (ID: DM6WHIA)

Drug Name

9H-carbazole-2-carbaldehyde

Synonyms

9H-CARBAZOLE-2-CARBALDEHYDE; 9H-Carbazole-2-carboxaldehyde; 99585-18-9; CHEMBL1172395; SCHEMBL7963280; CTK3I5755; DTXSID90479100; LCENSQOWDHIKAN-UHFFFAOYSA-N; ZINC22003786; BDBM50322588; AKOS006329833; DB-080615; AB0108318

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)

195.22

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H9NO
IUPAC Name: 9H-carbazole-2-carbaldehyde
Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)C=O
InChI: InChI=1S/C13H9NO/c15-8-9-5-6-11-10-3-1-2-4-12(10)14-13(11)7-9/h1-8,14H
InChIKey: LCENSQOWDHIKAN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 12169810
CAS Number: 99585-18-9
TTD ID: D0TR0R

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)

MIA Detail

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.