Details of the Drug

General Information of Drug (ID: DMV1CX0)

Drug Name
2,3,4,11-tetrahydro-1H-benzo[a]carbazole
Synonyms CHEMBL1173621; Tetrahydrobenzcarbazol; 2,3,4,11-tetrahydro-1H-benzo[a]carbazole; SCHEMBL17775042; BDBM50322598
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) 221.3
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 0
Chemical Identifiers
Formula
C16H15N
IUPAC Name
2,3,4,11-tetrahydro-1H-benzo[a]carbazole
Canonical SMILES
C1CCC2=C(C1)C=CC3=C2NC4=CC=CC=C34
InChI
InChI=1S/C16H15N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h3-4,7-10,17H,1-2,5-6H2
InChIKey
OOCBASGHISDDOY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11593764
ChEBI ID
CHEMBL1173621
TTD ID
D0V6CM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.