Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| December 11th, 2009 |
21 |
Yes
|
Other Names:
2-Hydroxypropanoic acid compd. with 9-methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazole (1:1); 5,11-Dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazole lactate; 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-9-methoxy-, lactate; 9-methoxyellipticine lactate[1:1]; C18H16
5,11-Dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazole hydrochloride hydrate; 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-9-methoxy-, hydrochloride, hydrate; 9-Methoxyellipticine hydrochloride; C18H16N2O.HCl.H2O; ICIG 773; LS-133286
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-9-methoxy-; 6H-Pyrido(4,3-b)carbazole, 9-methoxy-5,11-dimethyl-; 6H-Pyrido(4,3-b)carbazole, 9-methoxy-5,11-dimethyl- (8CI); 9-Methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazole; 9-Methoxyellipticin; 9-Methoxyelliptici
9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Download:
MOL2
SDF
SMILES
Flexibase
Annotations
-
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-
-
-
-
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- LS-133285
- LS-133287
- LS-133286
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-
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Vendors
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
4.32 |
7.34 |
-8.76 |
1 |
3 |
0 |
38 |
276.339 |
1 |
↓
|
|
Lo
Low (pH 4.5-6)
|
4.32 |
7.81 |
-35.92 |
2 |
3 |
1 |
39 |
277.347 |
1 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
KIT-1-E |
Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
800 |
0.41 |
Binding ≤ 10μM
|
|
KIT-1-E |
Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
500 |
0.42 |
Functional ≤ 10μM
|
|
Z80036-2-O |
BaF3 (IL-3-dependent Pro-B-cells) (cluster #2 Of 3), Other |
Other |
500 |
0.42 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Constitutive PI3K/AKT Signaling in Cancer |
|
|
PIP3 activates AKT signaling |
|
|
Regulation of KIT signaling |
|
|
Signaling by SCF-KIT |
|
No pre-computed analogs available. Try a structural similarity search.
