Compound Detail
CHEMBL3960453
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Basic Information
| ChEMBL ID | CHEMBL3960453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYNYBECHFAHSNA-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
1.02
ALogP
10
HBA
2
HBD
119.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.04
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 10.04 | 10.04 | 0.1 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 9.98 | 9.98 | 0.1 | 2 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 9.09 | 9.09 | 0.8 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 0.092 | nM | 10.04 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.105 | nM | 9.98 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.105 | nM | 9.98 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-2 | Ki | = | 0.806 | nM | 9.09 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 4200.0 | nM | 5.38 | In Vitro Cell Proliferation Potency Assay: BaF3, a murine interleukin-3 dependen... | - |
Data from ChEMBL 36 via Core Engine