Compound Detail
CHEMBL4551217
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Basic Information
| ChEMBL ID | CHEMBL4551217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYFOETBWCJXBPR-ZCXUNETKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
450.3
MW (Da)
4.82
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 590.0 | nM | 6.23 | Inhibition of recombinant human full-length JNK3 using ATF2 as substrate measure... | 31268308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31268308 | 10.1021/acs.jmedchem.9b00537 | Mitogen-activated protein kinase 10 | 2 |
| 31268308 | 10.1021/acs.jmedchem.9b00537 | Unchecked | 2 |
| 31268308 | 10.1021/acs.jmedchem.9b00537 | Mitogen-activated protein kinase 8 | 1 |
| 31268308 | 10.1021/acs.jmedchem.9b00537 | Mitogen-activated protein kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine