Compound Detail
CHEMBL4112816
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4112816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTRUDSZOTYPXRK-OAHLLOKOSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
2.38
ALogP
8
HBA
1
HBD
84.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.48
IC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 10.48 | 10.48 | 0.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 9.81 | 9.81 | 0.2 | 2 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 9.18 | 9.18 | 0.7 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.04 | 6.04 | 919.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 0.033 | nM | 10.48 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.156 | nM | 9.81 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.156 | nM | 9.81 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-2 | Ki | = | 0.659 | nM | 9.18 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 919.0 | nM | 6.04 | In Vitro Cell Proliferation Potency Assay: BaF3, a murine interleukin-3 dependen... | - |
Data from ChEMBL 36 via Core Engine