Compound Detail
CHEMBL61863
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Basic Information
| ChEMBL ID | CHEMBL61863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWYIXEHZSKOXEZ-RMKNXTFCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
377.2
MW (Da)
4.37
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peritoneal macrophage cell CHEMBL613703 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 4.65 | 4.65 | 22500.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peritoneal macrophage cell | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of nitric oxide production in LPS/IFN-gamma-stimulated BALB/c mouse p... | 19875299 |
| COLO 205 | IC50 | = | 22500.0 | nM | 4.65 | Growth inhibition of human COLO205 cells after 48 hrs by MTT assay | 19875299 |
| HepG2 | IC50 | = | 80000.0 | nM | 4.1 | Growth inhibition of human HepG2 cells after 48 hrs by MTT assay | 19875299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2362275 | 10.1021/jm00169a021 | HeLa | 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 | Helicobacter pylori | 1 |
| 23524161 | 10.1016/j.ejmech.2013.02.037 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine