Compound Detail
CHEMBL152820
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Basic Information
| ChEMBL ID | CHEMBL152820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DROUGNYFAQIMFE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.86
ALogP
3
HBA
2
HBD
55.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 8.1 | 7.88 | 8.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibition of TNF-alpha release from LPS stimulated human peripheral bl... | 14667219 |
| Mitogen-activated protein kinase 14 | IC50 | = | 13.0 | nM | 7.89 | In vitro inhibitory activity determined against human mitogen-activated protein ... | 14667219 |
| MAP kinase p38 | IC50 | = | 22.0 | nM | 7.66 | In vitro inhibition of IL1-beta release from LPS stimulated human peripheral blo... | 14667219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667219 | 10.1021/jm030851s | MAP kinase p38 | 2 |
| 14667219 | 10.1021/jm030851s | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine