Compound Detail
CHEMBL2035637
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Basic Information
| ChEMBL ID | CHEMBL2035637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNXYPVWPNANYAO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
376.2
MW (Da)
3.32
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Casein kinase II alpha'/ beta CHEMBL3883328 | IC50 | 6.32 | 6.32 | 484.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 6.27 | 6.27 | 534.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of N-terminal His-tagged human PIM1 expressed in Escherichia coli usi... | 22542012 |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of N-terminal His-tagged human PIM3 expressed in Escherichia coli usi... | 22542012 |
| Casein kinase II alpha'/ beta | IC50 | = | 484.0 | nM | 6.32 | Inhibition of N-terminal MBP-tagged human alpha2beta2 CK2 expressed in Escherich... | 22542012 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 534.0 | nM | 6.27 | Inhibition of N-terminal His-tagged human PIM2 expressed in Escherichia coli usi... | 22542012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22542012 | 10.1016/j.bmcl.2012.04.025 | Serine/threonine-protein kinase pim-1 | 1 |
| 22542012 | 10.1016/j.bmcl.2012.04.025 | Serine/threonine-protein kinase pim-2 | 1 |
| 22542012 | 10.1016/j.bmcl.2012.04.025 | Serine/threonine-protein kinase pim-3 | 1 |
| 22542012 | 10.1016/j.bmcl.2012.04.025 | Casein kinase II alpha'/ beta | 1 |
| 22542012 | 10.1016/j.bmcl.2012.04.025 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine