Compound Detail
CHEMBL468280
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Basic Information
| ChEMBL ID | CHEMBL468280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXWWNIUEVOHPKT-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
282.7
MW (Da)
2.25
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 7.66 | 7.5733 | 21.8 | 3 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 6.76 | 6.73 | 174.0 | 2 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | Ki | = | 21.8 | nM | 7.66 | Inhibition of Pim1 | 18790640 |
| Serine/threonine-protein kinase pim-1 | Ki | = | 22.0 | nM | 7.66 | Inhibition of Pim1 assessed as [32P] incorporation preincubated for 15 mins befo... | 19414255 |
| Serine/threonine-protein kinase pim-1 | Ki | = | 39.81 | nM | 7.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase pim-3 | Ki | = | 50.12 | nM | 7.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase pim-2 | Ki | = | 174.0 | nM | 6.76 | Inhibition of Pim2 | 18790640 |
| Serine/threonine-protein kinase pim-2 | Ki | = | 199.53 | nM | 6.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Glycogen synthase kinase-3 alpha | Ki | = | 3981.07 | nM | 5.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18790640 | 10.1016/j.bmcl.2008.08.079 | Serine/threonine-protein kinase pim-1 | 1 |
| 18790640 | 10.1016/j.bmcl.2008.08.079 | Serine/threonine-protein kinase pim-2 | 1 |
| 19414255 | 10.1016/j.bmcl.2009.04.061 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine