Compound Detail
CHEMBL3935096
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 | CHEMBL3935096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTCBQVWPAUVEEA-INIZCTEOSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
2.51
ALogP
8
HBA
1
HBD
98.6
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 10.42
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 10.42 | 10.42 | 0.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 9.8 | 9.8 | 0.2 | 2 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 0.038 | nM | 10.42 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.159 | nM | 9.8 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.159 | nM | 9.8 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-2 | Ki | = | 0.499 | nM | 9.3 | Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 2100.0 | nM | 5.68 | In Vitro Cell Proliferation Potency Assay: BaF3, a murine interleukin-3 dependen... | - |
Data from ChEMBL 36 via Core Engine