Compound Detail
CHEMBL102547
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Basic Information
| ChEMBL ID | CHEMBL102547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTEBQURMARYTDH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
5.97
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | EC50 | = | 700.0 | nM | 6.16 | Inhibition of LPS-induced tumor necrosis factor-alpha (TNF-alpha) production in ... | 12086485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086485 | 10.1021/jm020057r | MAP kinase p38 | 1 |
| 33035818 | 10.1016/j.ejmech.2020.112721 | Mitogen-activated protein kinase 14 | 1 |
| 33035818 | 10.1016/j.ejmech.2020.112721 | Mitogen-activated protein kinase 11 | 1 |
| 33035818 | 10.1016/j.ejmech.2020.112721 | Serine/threonine-protein kinase B-raf | 1 |
| 33035818 | 10.1016/j.ejmech.2020.112721 | Aurora kinase B | 1 |
| 33035818 | 10.1016/j.ejmech.2020.112721 | STE20-like serine/threonine-protein kinase | 1 |
| 33035818 | 10.1016/j.ejmech.2020.112721 | Serine/threonine-protein kinase 10 | 1 |
| 33035818 | 10.1016/j.ejmech.2020.112721 | Ephrin type-A receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine