Compound Detail
CHEMBL1952141
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Basic Information
| ChEMBL ID | CHEMBL1952141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWWUERNOFRFXQM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1952329 |
| Active Moiety | CHEMBL1952329 |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
4.05
ALogP
6
HBA
1
HBD
54.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.15
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 6.44 | 6.44 | 363.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of PIM1 | 22266039 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 44.0 | nM | 7.36 | Inhibition of FLT3 | 22266039 |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 69.0 | nM | 7.16 | Inhibition of PIM3 | 22266039 |
| Serine/threonine-protein kinase pim-1 | EC50 | = | 200.0 | nM | 6.7 | Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD ... | 22266039 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 363.0 | nM | 6.44 | Inhibition of PIM2 | 22266039 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 3162.28 | nM | 5.5 | Displacement of [3H]astemizole from human ERG expressed in CHO-K1 cell membranes | 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 |
| 22266039 | 10.1016/j.bmcl.2011.12.130 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine