Compound Detail
CHEMBL4129118
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Basic Information
| ChEMBL ID | CHEMBL4129118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYTFYLWLSNWHGV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
3.67
ALogP
6
HBA
2
HBD
91.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 5.67 | 5.67 | 2160.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of PIM1 (unknown origin) | 29871845 |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of PIM3 (unknown origin) | 29871845 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 2160.0 | nM | 5.67 | Inhibition of PIM2 (unknown origin) | 29871845 |
| MV4-11 | IC50 | = | 7300.0 | nM | 5.14 | Growth inhibition of human MV4-11 cells | 29871845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29871845 | 10.1016/j.bmcl.2018.05.054 | HepG2 | 8 |
| 29871845 | 10.1016/j.bmcl.2018.05.054 | MV4-11 | 2 |
| 29871845 | 10.1016/j.bmcl.2018.05.054 | Serine/threonine-protein kinase pim-1 | 1 |
| 29871845 | 10.1016/j.bmcl.2018.05.054 | Serine/threonine-protein kinase pim-2 | 1 |
| 29871845 | 10.1016/j.bmcl.2018.05.054 | Serine/threonine-protein kinase pim-3 | 1 |
Data from ChEMBL 36 via Core Engine