Compound Detail
CHEMBL3355558
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Basic Information
| ChEMBL ID | CHEMBL3355558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYMUXYIOLJRDOL-AWEZNQCLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
2.98
ALogP
5
HBA
1
HBD
59.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.03 | 7.03 | 94.0 | 3 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 5.7 | 5.7 | 2005.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 94.0 | nM | 7.03 | Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detecti... | 25589932 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 94.0 | nM | 7.03 | Kinase-Glo Assay: These assays are set up in duplicate 50 ul volumes in white, f... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 94.0 | nM | 7.03 | Kinase-Glo Assay: These assays are set up in duplicate 50 ul volumes in white, f... | - |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 2005.0 | nM | 5.7 | Inhibition of Pim2 (unknown origin) using luciferase-luciferin based ATP detecti... | 25589932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25589932 | 10.1021/ml500300c | Serine/threonine-protein kinase pim-2 | 1 |
| 25589932 | 10.1021/ml500300c | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine