Compound Detail
CHEMBL5989540
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O=C(N[C@@H]1C(=O)Nc2c(F)cc(F)cc2[C@@H]2C[C@H]12)c1cn(Cc2ccccc2)nn1
Basic Information
| ChEMBL ID | CHEMBL5989540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTXMYIKIAJZEIP-RFUYNDQBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
2.46
ALogP
5
HBA
2
HBD
88.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 6.3 | 6.3 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 500.0 | nM | 6.3 | Fluorescent Polarization Binding (FP Binding) assay: Assay was performed in poly... | - |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 500.0 | nM | 6.3 | Fluorescent Polarization Binding (FP Binding) assay: Test compounds were diluted... | - |
Data from ChEMBL 36 via Core Engine