Compound Detail
CHEMBL155567
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Basic Information
| ChEMBL ID | CHEMBL155567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPTQOJQQTLPBGP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.8
MW (Da)
5.62
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.15 | 7.435 | 7.0 | 2 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.62 | 7.27 | 24.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 7.0 | nM | 8.15 | In vitro inhibitory activity determined against human mitogen-activated protein ... | 14667219 |
| MAP kinase p38 | IC50 | = | 24.0 | nM | 7.62 | In vitro inhibition of TNF-alpha release from LPS stimulated human peripheral bl... | 14667219 |
| MAP kinase p38 | IC50 | = | 119.0 | nM | 6.92 | In vitro inhibition of IL1-beta release from LPS stimulated human peripheral blo... | 14667219 |
| Mitogen-activated protein kinase 14 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of p38 alpha | 17181176 |
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 |
| 17181176 | 10.1021/jm061072p | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine