General Information of the Compound
Compound ID
CP0541581
Compound Name
9-Bromo-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
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Synonyms
18073-34-2
5-23-09-00418 (Beilstein Handbook Reference)
6H-Pyrido(4,3-b)carbazole, 9-bromo-5,11-dimethyl-
6H-Pyrido[4, 9-bromo-5,11-dimethyl-
9-Bromo-5,11-dimethyl-6H-pyrido(4,3-b)carbazole
9-Bromo-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
9-Bromoellipticine
AC1L3XSF
ACM18073342
BDBM50174409
BRN 0543507
CHEMBL194474
DTXSID80171005
Ellipticine, 9-bromo-
NSC 98927
NSC-98927
NSC98927
ZINC13284221
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Structure
Formula
C17H13BrN2
Molecular Weight
325.209
Canonical SMILES
Cc1c2[nH]c3ccc(Br)cc3c2c(C)c2cnccc12
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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
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InChIKey
OSDDZVXUCKZOQA-UHFFFAOYSA-N
CAS
18073-34-2
Physicochemical Property
logP
5.24864
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 97080
SID: 15074519
ChEMBL ID
CHEMBL194474
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000755 Ba/F3 c-Kit D816V Mus musculus (Mouse)  1
1
IC50 = 200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 9-Bromo-5,11-dimethyl-6H-pyrido[4,3-b]carbazole )
Drug Name 9-Bromo-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Target(s)
Tyrosine-protein kinase Kit (KIT)
Inhibitor