Compound Detail
CHEMBL4229130
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Basic Information
| ChEMBL ID | CHEMBL4229130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUSLVKTWCYEISD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.40
ALogP
7
HBA
3
HBD
93.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.7 | 7.25 | 20.0 | 2 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 6.85 | 6.285 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human PIM1 | 29559278 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of human PIM2 | 29559278 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of PIM1 (unknown origin) expressed in human U2OS cells assessed as re... | 29559278 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of PIM2 (unknown origin) expressed in human U2OS cells assessed as re... | 29559278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29559278 | 10.1016/j.bmcl.2018.03.018 | Serine/threonine-protein kinase pim-1 | 2 |
| 29559278 | 10.1016/j.bmcl.2018.03.018 | Serine/threonine-protein kinase pim-2 | 2 |
| 29559278 | 10.1016/j.bmcl.2018.03.018 | Casein kinase II subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine