Compound Detail
CHEMBL5569575
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Basic Information
| ChEMBL ID | CHEMBL5569575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXDOUBRAWQLAGH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.9
MW (Da)
4.15
ALogP
7
HBA
2
HBD
81.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.97 | 6.97 | 106.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.41 | 6.41 | 387.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of JNK2 (unknown origin) by discoverX kinomescan assay | 37722288 |
| Mitogen-activated protein kinase 10 | IC50 | = | 74.0 | nM | 7.13 | Inhibition of JNK3 (unknown origin) expressed in Escherichia coli BL21 (DE3) cel... | 37722288 |
| Unchecked | IC50 | = | 106.0 | nM | 6.97 | Inhibition of human P38 MAPK by ADP-Glo kinase assay | 37722288 |
| Mitogen-activated protein kinase 8 | IC50 | = | 387.0 | nM | 6.41 | Inhibition of JNK1 (unknown origin) using ATF2 as substrate after 1 hr by Lantha... | 37722288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37722288 | 10.1016/j.ejmech.2023.115817 | Unchecked | 1 |
| 37722288 | 10.1016/j.ejmech.2023.115817 | Mitogen-activated protein kinase 8 | 1 |
| 37722288 | 10.1016/j.ejmech.2023.115817 | Mitogen-activated protein kinase 10 | 1 |
| 37722288 | 10.1016/j.ejmech.2023.115817 | Mitogen-activated protein kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine