Compound Detail
CHEMBL1795684
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Cc1ccc(C(=O)N[C@H](C)C(N)=O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O
Basic Information
| ChEMBL ID | CHEMBL1795684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJXHMPDPEACKNQ-GFCCVEGCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
476.9
MW (Da)
2.66
ALogP
6
HBA
2
HBD
116.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of p38alpha kinase | 21620699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Liver microsomes | 2 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Rattus norvegicus | 2 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Mitogen-activated protein kinase 14 | 1 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | No relevant target | 1 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine