Compound Detail
CHEMBL2017353
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Basic Information
| ChEMBL ID | CHEMBL2017353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBIPPWQOAJGLJC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.92
ALogP
7
HBA
2
HBD
79.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Casein kinase II alpha/beta CHEMBL3038477 | IC50 | 6.87 | 6.87 | 136.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate and 30 uM AT... | 22460033 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate and 5 uM ATP... | 22460033 |
| Casein kinase II alpha/beta | IC50 | = | 136.0 | nM | 6.87 | Inhibition of human recombinant CK2 (alphaalpha-betabeta) holoenzyme using RRRDD... | 22460033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22460033 | 10.1016/j.bmcl.2012.02.099 | Serine/threonine-protein kinase pim-1 | 1 |
| 22460033 | 10.1016/j.bmcl.2012.02.099 | Serine/threonine-protein kinase pim-2 | 1 |
| 22460033 | 10.1016/j.bmcl.2012.02.099 | Casein kinase II alpha/beta | 1 |
Data from ChEMBL 36 via Core Engine