Compound Detail
CHEMBL5595384
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C[C@H]1CN(c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CC[C@H]3O)C[C@@H](N)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5595384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTORCEYGCGXHDH-OVMXCRKPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
2.94
ALogP
7
HBA
4
HBD
124.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 9.92 | 9.92 | 0.1 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | IC50 | = | 0.12 | nM | 9.92 | Inhibition of PIM3 (unknown origin) | 38164076 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 0.24 | nM | 9.62 | Inhibition of PIM1 (unknown origin) | 38164076 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of PIM2 (unknown origin) | 38164076 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38164076 | 10.1021/acs.jmedchem.3c01802 | Serine/threonine-protein kinase pim-1 | 1 |
| 38164076 | 10.1021/acs.jmedchem.3c01802 | Serine/threonine-protein kinase pim-2 | 1 |
| 38164076 | 10.1021/acs.jmedchem.3c01802 | Serine/threonine-protein kinase pim-3 | 1 |
Data from ChEMBL 36 via Core Engine