Compound Detail
CHEMBL4449598
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Basic Information
| ChEMBL ID | CHEMBL4449598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXOXYJAXXXZKCT-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.52
ALogP
7
HBA
1
HBD
67.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.34
EC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | EC50 | 6.58 | 6.58 | 265.0 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.22 | 5.22 | 6060.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 5.09 | 5.09 | 8040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of His tagged human recombinant PIM1 using PIM tide (ARKRRRHPSGPPTA) ... | 30802730 |
| Serine/threonine-protein kinase pim-1 | EC50 | = | 265.0 | nM | 6.58 | Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phospho... | 30802730 |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of N-terminal 6-His tagged human recombinant PIM3 using PIM tide (ARK... | 30802730 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 6060.0 | nM | 5.22 | Inhibition of human ERG incubated for 1 hr by Fluorescence polarization binding ... | 30802730 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 8040.0 | nM | 5.09 | Inhibition of His tagged human recombinant PIM2 using PIM tide (ARKRRRHPSGPPTA) ... | 30802730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Serine/threonine-protein kinase pim-1 | 3 |
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Serine/threonine-protein kinase pim-2 | 1 |
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Serine/threonine-protein kinase pim-3 | 1 |
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine