Compound Detail
CHEMBL4449405
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Basic Information
| ChEMBL ID | CHEMBL4449405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGIMUSVKXGHFOE-JJFYIABZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
476.3
MW (Da)
3.46
ALogP
5
HBA
2
HBD
88.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.12 | 5.12 | 7650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 7650.0 | nM | 5.12 | 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 |
| 30925338 | 10.1016/j.ejmech.2019.03.039 | Glycogen synthase kinase-3 alpha | 1 |
| 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