Details of the Drug

General Information of Drug (ID: DMK41DJ)

• Drug Name: 11H-benzo[a]carbazole
• Synonyms: 11H-Benzo[a]carbazole; Benzocarbazole; 239-01-0; 1,2-Benzocarbazole; 1,2-Benzcarbazole; 11-Azachrysofluorene; Benzo[a]carbazole; 11H-Benzo(a)carbazole; BENZO(A)CARBAZOLE; UNII-3Y3SPE26QX; EINECS 205-945-4; NSC 403640; BRN 0155940; 3Y3SPE26QX; CHEMBL1173622; MYKQKWIPLZEVOW-UHFFFAOYSA-N; 67526-84-5; WLN: T D6 B566 CMJ; benzo[3,4]carbazole; benzo[1,2]carbazole; 1,2-Benzo-carbazole; AC1L1SJA; AC1Q4W1R; AC1Q1IZ3; SCHEMBL70791; 5-20-08-00456 (Beilstein Handbook Reference); CTK1A2947; MolPort-001-815-051; ZINC1690207; NSC60421; NSC403640

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 217.26
  Logarithm of the Partition Coefficient (xlogp); 5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 0
• Chemical Identifiers:
  Formula: C16H11N
  IUPAC Name: 11H-benzo[a]carbazole
  Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C34
  InChI: InChI=1S/C16H11N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10,17H
  InChIKey: MYKQKWIPLZEVOW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9196
  CAS Number: 239-01-0
  TTD ID: D09DGA

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]

References

• [1] Kinesin spindle protein (KSP) inhibitors with 2,3-fused indole scaffolds. J Med Chem. 2010 Jul 8;53(13):5054-8.