Compound Detail
CHEMBL1952125
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Basic Information
| ChEMBL ID | CHEMBL1952125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRHBVVQSMCFGOS-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
3.66
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.96
EC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 6.66 | 6.66 | 218.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | EC50 | 6.23 | 6.23 | 590.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.11 | 6.11 | 778.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of PIM1 | 22266039 |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of PIM3 | 22266039 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 218.0 | nM | 6.66 | Inhibition of PIM2 | 22266039 |
| Serine/threonine-protein kinase pim-1 | EC50 | = | 590.0 | nM | 6.23 | Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD ... | 22266039 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 778.0 | nM | 6.11 | Inhibition of FLT3 | 22266039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22266039 | 10.1016/j.bmcl.2011.12.130 | Serine/threonine-protein kinase pim-1 | 2 |
| 22266039 | 10.1016/j.bmcl.2011.12.130 | Serine/threonine-protein kinase pim-2 | 1 |
| 22266039 | 10.1016/j.bmcl.2011.12.130 | Serine/threonine-protein kinase pim-3 | 1 |
| 22266039 | 10.1016/j.bmcl.2011.12.130 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine