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]
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
ChEBI ID
CHEMBL1172392
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]
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.