Compound Detail
CHEMBL5816850
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Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(CC4COCCO4)CC3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL5816850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCUWVJGFSWOADZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
3.43
ALogP
8
HBA
2
HBD
93.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 9.02 | 9.02 | 0.9 | 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 | = | 0.95 | nM | 9.02 | V9103X ADP-Glo Kinase Assay Custom: In a 384-well plate, test compound diluted i... | - |
Data from ChEMBL 36 via Core Engine