General Information of the Compound
Compound ID
CP0232374
Compound Name
9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
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Synonyms
10371-86-5
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-9-me
6H-Pyrido[4,3-b]carbazole, 9-methoxy-5,11-dimethyl-
9-Methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazole
9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
9-Methoxy-Ellipticine
9-Methoxyellipticin
9-Methoxyellipticine
AT 181
B 656501 K003
BKRMCDAOAQWNTG-UHFFFAOYSA-N
BRN 0279742
C18H16N2O
CHEMBL19954
EINECS 233-812-0
Ellipticine, 9-methoxy-
ICI 180 base
ICIG 772
MLS000736760
Methoxyellipticine
Methoxyelliptione
NSC 69187
NSC-69187
NSC69187
UNII-U0924292N9
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Structure
Formula
C18H16N2O
Molecular Weight
276.339
Canonical SMILES
COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
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InChI
InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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InChIKey
BKRMCDAOAQWNTG-UHFFFAOYSA-N
Physicochemical Property
logP
4.49474
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 72512
SID: 14824312
ChEMBL ID
CHEMBL19954
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 23109.3 nM
   TI
   LI
   LO
   TS
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 = 300 nM
   TI
   LI
   LO
   TS
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole )
Drug Name 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Target(s)
Tyrosine-protein kinase Kit (KIT)
Inhibitor