Compound Detail
CHEMBL2316485
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O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCCN4CCOCC4)cc2C3=O)ccc1F)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2316485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRINYURMSXQULP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
565.6
MW (Da)
5.86
ALogP
6
HBA
2
HBD
79.9
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
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 9.0 | 7.79 | 1.0 | 2 |
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 | Inhibition of p38alpha MAP kinase (unknown origin) by ELISA | 23270382 |
| Mitogen-activated protein kinase 14 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of p38alpha MAP kinase in whole blood (unknown origin) assessed as li... | 23270382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23270382 | 10.1021/jm301539x | Mitogen-activated protein kinase 14 | 2 |
| 34818008 | 10.1021/acs.jmedchem.1c01173 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine