Compound Detail
CHEMBL5779258
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CO[C@@H]1CN(C)CC[C@@H]1Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)c1
Basic Information
| ChEMBL ID | CHEMBL5779258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWEMWCNCWJOHHX-BJKOFHAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
499.0
MW (Da)
3.75
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 1.8 | nM | 8.74 | V9103X ADP-Glo Kinase Assay Custom: In a 384-well plate, test compound diluted i... | - |
Data from ChEMBL 36 via Core Engine