Compound Detail
CHEMBL225129
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Basic Information
| ChEMBL ID | CHEMBL225129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIGKXDPUXQHKKM-SDNWHVSQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.95
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12600.0 | nM | 4.9 | Inhibition of IL5 in mouse Y16 cells at 50 uM | 17064909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064909 | 10.1016/j.bmc.2006.10.007 | Unchecked | 2 |
| 22677029 | 10.1016/j.ejmech.2012.05.019 | Unchecked | 2 |
| 24835787 | 10.1016/j.bmc.2014.04.045 | NON-PROTEIN TARGET | 2 |
| 22677029 | 10.1016/j.ejmech.2012.05.019 | RAW264.7 | 1 |
| 24835787 | 10.1016/j.bmc.2014.04.045 | ACHN | 1 |
| 24835787 | 10.1016/j.bmc.2014.04.045 | NCI-H23 | 1 |
| 24835787 | 10.1016/j.bmc.2014.04.045 | MDA-MB-231 | 1 |
| 24835787 | 10.1016/j.bmc.2014.04.045 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine