Compound Detail
CHEMBL258631
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CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)N(C)C)n(C)n1
Basic Information
| ChEMBL ID | CHEMBL258631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGNSVTMIORSRHI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.0
MW (Da)
4.40
ALogP
6
HBA
0
HBD
77.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human JNK1 by radiometric assay | 18313930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18313930 | 10.1016/j.bmc.2008.02.028 | Mitogen-activated protein kinase 8 | 2 |
| 18313930 | 10.1016/j.bmc.2008.02.028 | ADMET | 2 |
| 18313930 | 10.1016/j.bmc.2008.02.028 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine