Compound Detail
CHEMBL143141
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COc1ccc(CCOc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)cc1OC
Basic Information
| ChEMBL ID | CHEMBL143141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCSDBBSAVVCWFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
578.7
MW (Da)
7.91
ALogP
6
HBA
2
HBD
86.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL2336 | Kd | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Kd | = | 3.5 | nM | 8.46 | Kd value and murine Mitogen-activated protein kinase p38 alpha complex was calcu... | 14561087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561087 | 10.1021/jm030121k | Mitogen-activated protein kinase 14 | 2 |
Data from ChEMBL 36 via Core Engine