Compound Detail
CHEMBL209082
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 | CHEMBL209082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVTJLFMPNKAXHW-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
1.53
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Ki 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Serine/threonine-protein kinase D3 CHEMBL2595 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | Ki | = | 1258.93 | nM | 5.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase 8 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of JNK1-mediated ATF2 phosphorylation | 16759099 |
| Serine/threonine-protein kinase D3 | Ki | = | 7943.28 | nM | 5.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase 9 | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of JNK2-mediated ATF2 phosphorylation | 16759099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759099 | 10.1021/jm060199b | Mitogen-activated protein kinase 8 | 1 |
| 16759099 | 10.1021/jm060199b | Mitogen-activated protein kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine