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Compound Detail

CHEMBL16699

ELLIPTINIUM
🧪 Phase II
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🧪 Phase II
Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16699
Name ELLIPTINIUM
Phase Phase II
Structure Type MOL
InChI Key YZQRAQOSAPWELU-UHFFFAOYSA-O

Known Names

9-hydroxy-2-methylellipticinium Elliptinium cation Elliptinium ion
6
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

277.4
MW (Da)
3.62
ALogP
1
HBA
2
HBD
39.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -ium

Extended Properties

Molecular Formula C18H17N2O+
MW 277.35
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness 1.09

Activity Summary

IC50 8 meas. best 8.0
Kd 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 8.0 7.2 10.0 4
L1210
CHEMBL386
 IC50 7.26 7.26 54.6 1
B16
CHEMBL381
 IC50 6.97 6.97 106.0 1
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 6.3 6.3 500.0 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
 IC50 6.16 6.16 700.0 1
quadruplex DNA
CHEMBL3832742
 Kd 6.05 6.05 900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mast/stem cell growth factor receptor Kit IC50 = 10.0 nM 8.0 Inhibitory concentration against IL-3 independent Ba/F3 Kit cell line with SCF (... 16190746
Mast/stem cell growth factor receptor Kit IC50 = 10.0 nM 8.0 Inhibitory concentration against IL-3 independent Ba/F3 Kit D816V cell line 16190746
L1210 IC50 = 54.6 nM 7.26 Inhibition of murine L1210 leukemia cell proliferation measured by the MTT assay 10377224
B16 IC50 = 106.0 nM 6.97 Inhibition of murine B16 melanoma cell proliferation measured by the MTT assay 10377224
Mast/stem cell growth factor receptor Kit IC50 = 400.0 nM 6.4 Inhibitory concentration against c-Kit wild type expressed in recombinant baculo... 16190746
Mast/stem cell growth factor receptor Kit IC50 = 400.0 nM 6.4 Inhibitory concentration against c-Kit D816V type expressed in recombinant bacul... 16190746
Fibroblast growth factor receptor 3 IC50 = 500.0 nM 6.3 Inhibitory activity against Fibroblast growth factor receptor 3 16190746
Platelet-derived growth factor receptor alpha IC50 = 700.0 nM 6.16 Inhibitory activity against Platelet-derived growth factor receptor alpha 16190746
quadruplex DNA Kd = 900.0 nM 6.05 Binding affinity to 5' FAM/3' TAMRA (G4C2)8 G-quadruplex DNA (unknown origin) by... 31926785

Literature References

PubMed DOI Target Context # Activities
10377224 10.1021/jm981093m Mus musculus 6
16190746 10.1021/jm050231m Mast/stem cell growth factor receptor Kit 4
7265115 10.1021/jm00135a010 Mus musculus 3
6471070 10.1021/jm00375a013 Escherichia coli 2
6471070 10.1021/jm00375a013 Mus musculus 2
7265115 10.1021/jm00135a010 L1210 2
31926785 10.1016/j.bmcl.2019.126942 quadruplex DNA 1
6708048 10.1021/jm00370a007 Nucleic Acid 1
16190746 10.1021/jm050231m Platelet-derived growth factor receptor alpha 1
16190746 10.1021/jm050231m Fibroblast growth factor receptor 3 1
6471070 10.1021/jm00375a013 L1210 1
6471070 10.1021/jm00375a013 Nucleic Acid 1
6413693 10.1021/jm00364a015 L1210 1
1479585 10.1021/jm00104a011 NCI-H358 1
1479585 10.1021/jm00104a011 NCI-H460 1
1479585 10.1021/jm00104a011 NCI-H417 1
1479585 10.1021/jm00104a011 NCI-H69 1
10377224 10.1021/jm981093m B16 1
10377224 10.1021/jm981093m L1210 1
7452670 10.1021/jm00185a012 L1210 1

Data from ChEMBL 36 via Core Engine