Compound Detail
CHEMBL3086685
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O=C(Nc1cc(Nc2ccc3c(c2)OCc2ccc(OCCN4CCOCC4)cc2C3=O)ccc1F)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3086685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPUXVIDSMSFXIU-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
567.6
MW (Da)
5.66
ALogP
7
HBA
2
HBD
89.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Kd 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | Kd | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 1.0 | nM | 9.0 | Competitive inhibition of p38alpha MAP kinase (unknown origin) in presence of 10... | 24131218 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of P38alpha MAPK (unknown origin) | 31445234 |
| Mitogen-activated protein kinase 14 | Kd | = | 17.0 | nM | 7.77 | Binding affinity to P38alpha MAPK (unknown origin) assessed as dissociation cons... | 31445234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24131218 | 10.1021/jm401276h | Mitogen-activated protein kinase 14 | 2 |
| 31445234 | 10.1016/j.ejmech.2019.111624 | Mitogen-activated protein kinase 14 | 2 |
Data from ChEMBL 36 via Core Engine