Compound Detail
CHEMBL261014
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COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NC(=O)CCC(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL261014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJOQZQKRUNERFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.4
MW (Da)
5.07
ALogP
6
HBA
2
HBD
114.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 8.04 | 8.04 | 9.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 9.2 | nM | 8.04 | Inhibition of human JNK1 by radiometric assay | 18313304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18313304 | 10.1016/j.bmc.2008.02.027 | Mitogen-activated protein kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine