General Information of the Compound
Compound ID
CP0051733
Compound Name
5,11-dimethyl-2H-pyrido[4,3-b]carbazole
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Synonyms
117VLW7484
5,11-Dimethyl-6H-pyrido(4,3-b)carbazole
5,11-Dimethyl-6H-pyrido[4,3-b]carbazole
5,11-Dimethylpyrido[4,3-b]carbazole
519-23-3
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-
6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-
6H-Pyrido[4,3-b]carbazole,5,11-dimethyl-
BRN 0221300
CCG-36483
CCRIS 2003
CHEBI:4776
CHEMBL123
CP 5
EINECS 208-264-0
Ellipticin
Ellipticine
Elliptisine
ICIG 770
MLS000028487
MLS000736786
NSC 71795
NSC-71795
NSC71795
SMR000058370
SR-01000003083
TCMDC-125546
UNII-117VLW7484
elliptecine
ellipticine
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Structure
Formula
C17H14N2
Molecular Weight
246.313
Canonical SMILES
Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12
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InChI
InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
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InChIKey
CTSPAMFJBXKSOY-UHFFFAOYSA-N
CAS
519-23-3
Physicochemical Property
logP
4.48614
Rotatable Bonds
0
Heavy Atom Count
19
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 3213
SID: 14798509
ChEMBL ID
CHEMBL123
DrugBank ID
DB17026
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 9200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 10322.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000755 Ba/F3 c-Kit D816V
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 13091.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Ellipticine )
Drug Name Ellipticine