Compound Detail
CHEMBL5561482
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CCc1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)nccn12
Basic Information
| ChEMBL ID | CHEMBL5561482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBHRMBTXAQKWCM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
4.57
ALogP
6
HBA
1
HBD
85.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 6.95 | 6.95 | 112.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 112.3 | nM | 6.95 | Inhibition of RIPK1 (unknown origin) in presence of ATP by kinaseProfiler assay | 38171150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38171150 | 10.1016/j.ejmech.2023.116076 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine