Compound Detail
CHEMBL4874419
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4874419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSPCSJPGLMJDCZ-MGCOHNPYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
1.11
ALogP
6
HBA
4
HBD
113.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL1795174 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULig... | 34894681 |
| Mitogen-activated protein kinase 9 | IC50 | = | 79.0 | nM | 7.1 | Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULig... | 34894681 |
| Mitogen-activated protein kinase 8 | IC50 | = | 1770.0 | nM | 5.75 | Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosp... | 34894681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34894681 | 10.1021/acs.jmedchem.1c01716 | Mitogen-activated protein kinase 8 | 2 |
| 34894681 | 10.1021/acs.jmedchem.1c01716 | Mitogen-activated protein kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine