Compound Detail
CHEMBL5517756
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COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(-c4ccccc4C(F)(F)F)c3n1)CN(C)CC2
Basic Information
| ChEMBL ID | CHEMBL5517756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWKFYKCJBOOYSF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
4.12
ALogP
8
HBA
2
HBD
98.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 7.64 | 7.64 | 23.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 23.13 | nM | 7.64 | Inhibition of HPK1 (unknown origin) using His-tagged SLP-76 as substrate preincu... | 38479166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38479166 | 10.1016/j.ejmech.2024.116310 | Mitogen-activated protein kinase kinase kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine