Compound Detail
CHEMBL5881129
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N#Cc1cccc(Cn2cc(F)c(C(=O)N[C@@H]3C(=O)Nc4c(F)cc(F)cc4[C@@H]4C[C@H]34)n2)c1
Basic Information
| ChEMBL ID | CHEMBL5881129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLVHGNLLBJCQJV-UVFQYZLESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
3.07
ALogP
5
HBA
2
HBD
99.8
PSA (Ų)
0.64
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