Compound Detail
CHEMBL5797522
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COc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)c1
Basic Information
| ChEMBL ID | CHEMBL5797522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQXDDNKSKQUYFA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
613.7
MW (Da)
8.61
ALogP
8
HBA
3
HBD
115.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.92 | 6.92 | 119.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.92 | 119.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 119.0 | nM | 6.92 | p38 MAPKα Enzyme Inhibition: The inhibitory activities of test compounds against... | - |
| Mitogen-activated protein kinase 14 | IC50 | = | 119.0 | nM | 6.92 | p38 MAPKalpha Enzyme Inhibition: The inhibitory activities of test compounds aga... | - |
| Mitogen-activated protein kinase 14 | IC50 | = | 119.0 | nM | 6.92 | Enzyme Inhibition Assay: p38 MAPKα: The enzyme inhibitory activities of compound... | - |
| Mitogen-activated protein kinase 14 | IC50 | = | 119.0 | nM | 6.92 | Enzyme Inhibition: p38 MAPKα: The inhibitory activities of test compounds agains... | - |
Data from ChEMBL 36 via Core Engine