Compound Detail
CHEMBL1094013
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Basic Information
| ChEMBL ID | CHEMBL1094013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTEXFYJKENTXMP-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
5.71
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.96 | 7.96 | 10.9 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 10.9 | nM | 7.96 | Inhibition of JNK3 | 20146479 |
| Mitogen-activated protein kinase 14 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of p38alpha | 20146479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20146479 | 10.1021/jm9003279 | Mitogen-activated protein kinase 10 | 1 |
| 20146479 | 10.1021/jm9003279 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine