Compound Detail
CHEMBL4741714
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C[C@@H]1C[C@H](N)C[C@H](c2ccccc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1
Basic Information
| ChEMBL ID | CHEMBL4741714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAPPKQMJLOBLDJ-XHSDSOJGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
5.65
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 10.74 | 10.74 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 | IC50 | = | 0.018 | nM | 10.74 | Inhibition of PIM2 (unknown origin) | 33128909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33128909 | 10.1016/j.bmc.2020.115724 | Serine/threonine-protein kinase pim-1 | 1 |
| 33128909 | 10.1016/j.bmc.2020.115724 | Serine/threonine-protein kinase pim-2 | 1 |
| 33128909 | 10.1016/j.bmc.2020.115724 | Serine/threonine-protein kinase pim-3 | 1 |
Data from ChEMBL 36 via Core Engine