Compound Detail
CHEMBL4127644
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 | CHEMBL4127644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNPPTJBBFAGSJD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
2.91
ALogP
6
HBA
3
HBD
117.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of PIM1 (unknown origin) | 29871845 |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of PIM3 (unknown origin) | 29871845 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of PIM2 (unknown origin) | 29871845 |
| MV4-11 | IC50 | = | 6800.0 | nM | 5.17 | Growth inhibition of human MV4-11 cells | 29871845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29871845 | 10.1016/j.bmcl.2018.05.054 | HepG2 | 8 |
| 29871845 | 10.1016/j.bmcl.2018.05.054 | MV4-11 | 2 |
| 29871845 | 10.1016/j.bmcl.2018.05.054 | Serine/threonine-protein kinase pim-1 | 1 |
| 29871845 | 10.1016/j.bmcl.2018.05.054 | Serine/threonine-protein kinase pim-2 | 1 |
| 29871845 | 10.1016/j.bmcl.2018.05.054 | Serine/threonine-protein kinase pim-3 | 1 |
Data from ChEMBL 36 via Core Engine