Compound Detail
CHEMBL5860468
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COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C4(C)COC4)nn3-c3ccc(C)cc3)cc2)ccn1
Basic Information
| ChEMBL ID | CHEMBL5860468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIXPUHSPHAHNFH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
4.88
ALogP
8
HBA
3
HBD
128.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 15.0 | nM | 7.82 | MAPK13 and MAPK14 enzyme assays: ach of these analogs were checked for physical ... | - |
Data from ChEMBL 36 via Core Engine