Compound Detail
CHEMBL319681
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Basic Information
| ChEMBL ID | CHEMBL319681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHPQKDREVNWSID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.9
MW (Da)
5.49
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | Kd | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | Kd | = | 7500.0 | nM | 5.12 | Binding affinity for human recombinant Mitogen-activated protein kinase p38 in a... | 12086485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086485 | 10.1021/jm020057r | MAP kinase p38 | 1 |
Data from ChEMBL 36 via Core Engine