Compound Detail
CHEMBL5569331
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COC(C)(C)c1nc2c(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4N)CC3)c(F)cnc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL5569331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHWIYXAOILIRIP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
4.48
ALogP
6
HBA
2
HBD
106.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 CHEMBL5332 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of ERK5 in human SN12C cells assessed as luciferase activity by Brigh... | 38894904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38894904 | 10.1021/acsmedchemlett.4c00228 | Mitogen-activated protein kinase 7 | 1 |
Data from ChEMBL 36 via Core Engine