Compound Detail
CHEMBL5612131
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Basic Information
| ChEMBL ID | CHEMBL5612131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQBOPOXTEJBLOH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
4.67
ALogP
7
HBA
2
HBD
102.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of Nano Luc-fused PIM3 (unknown origin) expressed in HEK293 cells usi... | 38199328 |
| Unchecked | IC50 | = | 760.0 | nM | 6.12 | Inhibition of Nano Luc-fused CSNK2A (unknown origin) expressed in HEK293 cells u... | 38199328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38199328 | 10.1016/j.bmcl.2024.129617 | Unchecked | 2 |
| 38199328 | 10.1016/j.bmcl.2024.129617 | Serine/threonine-protein kinase pim-3 | 1 |
Data from ChEMBL 36 via Core Engine