Compound Detail
CHEMBL5179151
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CC1(C)CC1C(=O)Nc1nc2cc(Oc3ccc(F)c(NC(=O)Cc4cccc(OC(F)(F)F)c4)c3)c(F)cc2s1
Basic Information
| ChEMBL ID | CHEMBL5179151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUJICRJBVQBLHH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
591.6
MW (Da)
7.43
ALogP
6
HBA
2
HBD
89.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.92
Kd 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | Kd | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | EC50 | = | 12.0 | nM | 7.92 | Anti-necroptotic activity in TSZ induced human HT-29 cells assessed as increase ... | 36288088 |
| Receptor-interacting serine/threonine-protein kinase 1 | Kd | = | 25.0 | nM | 7.6 | Binding affinity to recombinant human wild type partial length RIPK1 (M1 to K305... | 36288088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36288088 | 10.1021/acs.jmedchem.2c01478 | HT-29 | 2 |
| 36288088 | 10.1021/acs.jmedchem.2c01478 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 36288088 | 10.1021/acs.jmedchem.2c01478 | Receptor-interacting serine/threonine-protein kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine