Details of the Drug

General Information of Drug (ID: DM0HNU3)

Drug Name

9H-carbazole-3-carbaldehyde

Synonyms

9H-Carbazole-3-carbaldehyde; 9H-Carbazole-3-carboxaldehyde; 3-Formylcarbazole; 51761-07-0; CHEMBL1172392; 3-Formyl-9H-carbazole; AC1L9YEB; 2-Formylcarbazole (obsol.); SCHEMBL2775335; CTK1G4153; DTXSID70333418; WRBOHOGDAJPJOQ-UHFFFAOYSA-N; ZINC3641069; BDBM50322592; STL367222; BBL026891; AKOS000113618; AB51127

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)

3.2

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

Cross-matching ID

PubChem CID: 504067
CAS Number: 51761-07-0
TTD ID: D0M3ZV

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.