Compound Detail
CHEMBL4084589
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
O=C(NCCN1CCOCC1)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)C4CC4)ccc3F)cc1CC2
Basic Information
| ChEMBL ID | CHEMBL4084589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCCPAOATUOYQCT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
4.31
ALogP
6
HBA
3
HBD
99.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 5.3 | nM | 8.28 | Inhibition of P38 alpha MAPK (unknown origin) by ELISA | 28834431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28834431 | 10.1021/acs.jmedchem.7b00745 | Mitogen-activated protein kinase 14 | 2 |
Data from ChEMBL 36 via Core Engine