Compound Detail
CHEMBL486273
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Basic Information
| ChEMBL ID | CHEMBL486273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJOQNOIPLGPXPO-FNORWQNLSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.32
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.96
EC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Peritoneal macrophage cell CHEMBL613703 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.01 | 6.01 | 980.0 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 110.0 | nM | 6.96 | Cytotoxicity against human MCF7 cells | - |
| Peritoneal macrophage cell | IC50 | = | 300.0 | nM | 6.52 | Inhibition of nitric oxide production in LPS/IFN-gamma-stimulated BALB/c mouse p... | 19875299 |
| Unchecked | EC50 | = | 980.0 | nM | 6.01 | Inhibition of tubulin polymerization in rat A10 cells assessed as microtubule lo... | - |
| Tubulin | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of tubulin polymerization (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20705463 | 10.1016/j.bmcl.2010.07.094 | Helicobacter pylori | 13 |
| 18584918 | 10.1016/j.ejmech.2008.05.010 | Staphylococcus aureus | 2 |
| 20167484 | 10.1016/j.bmcl.2010.01.113 | Angiotensin-converting enzyme | 2 |
| 18584918 | 10.1016/j.ejmech.2008.05.010 | Escherichia coli | 1 |
| 19875299 | 10.1016/j.bmc.2009.10.022 | Peritoneal macrophage cell | 1 |
| 19875299 | 10.1016/j.bmc.2009.10.022 | COLO 205 | 1 |
| 19875299 | 10.1016/j.bmc.2009.10.022 | HepG2 | 1 |
| 20705463 | 10.1016/j.bmcl.2010.07.094 | AGS | 1 |
| 23524161 | 10.1016/j.ejmech.2013.02.037 | L1210 | 1 |
| - | 10.1039/C0MD00119H | Unchecked | 1 |
| - | 10.1039/C0MD00119H | MCF7 | 1 |
| - | 10.1039/C0MD00119H | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine