Details of the Drug

General Information of Drug (ID: DMQEO7F)

• Drug Name: 9-Bromo-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
• Synonyms: 9-Bromoellipticine; Ellipticine, 9-bromo-; 9-Bromo-5,11-dimethyl-6H-pyrido[4,3-b]carbazole; 18073-34-2; NSC 98927; BRN 0543507; CHEMBL194474; NSC98927; 9-Bromo-5,11-dimethyl-6H-pyrido(4,3-b)carbazole; 6H-Pyrido(4,3-b)carbazole, 9-bromo-5,11-dimethyl-; AC1L3XSF; 5-23-09-00418 (Beilstein Handbook Reference); DTXSID80171005; ZINC13284221; NSC-98927; BDBM50174409; ACM18073342; 6H-Pyrido[4, 9-bromo-5,11-dimethyl-

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 325.2
  Logarithm of the Partition Coefficient (xlogp); 5.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C17H13BrN2
  IUPAC Name: 9-bromo-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
  Canonical SMILES: CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)Br)C
  InChI: InChI=1S/C17H13BrN2/c1-9-14-8-19-6-5-12(14)10(2)17-16(9)13-7-11(18)3-4-15(13)20-17/h3-8,20H,1-2H3
  InChIKey: OSDDZVXUCKZOQA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 97080
  CAS Number: 18073-34-2
  TTD ID: D08ZWJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosine-protein kinase Kit (KIT)	TTX41N9	KIT_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tyrosine-protein kinase Kit (KIT)	DTT	KIT	2.06E-01	-0.1	-0.14

References

• [1] Molecular modeling of wild-type and D816V c-Kit inhibition based on ATP-competitive binding of ellipticine derivatives to tyrosine kinases. J Med Chem. 2005 Oct 6;48(20):6194-201.