Compound Detail
CHEMBL3634781
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Basic Information
| ChEMBL ID | CHEMBL3634781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVJJTRNNWYKRTH-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.49
ALogP
6
HBA
2
HBD
82.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 11.0 | 11.0 | 0.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 10.43 | 10.42 | 0.0 | 3 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 0.01 | nM | 11.0 | Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after... | 26459208 |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.037 | nM | 10.43 | PIM Kinase Binding Activity Assay: PIM-1, PIM-2, and PIM-3 enzymes were generate... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.037 | nM | 10.43 | PIM Kinase Binding Activity Assay: PIM-1, PIM-2, and PIM-3 enzymes were generate... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.04 | nM | 10.4 | Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after... | 26459208 |
| Serine/threonine-protein kinase pim-2 | Ki | = | 0.5 | nM | 9.3 | Inhibition of Pim2 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after... | 26459208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28445037 | 10.1021/acs.jmedchem.7b00418 | ADMET | 10 |
| 26459208 | 10.1016/j.bmcl.2015.09.052 | Serine/threonine-protein kinase pim-1 | 1 |
| 26459208 | 10.1016/j.bmcl.2015.09.052 | Serine/threonine-protein kinase pim-2 | 1 |
| 26459208 | 10.1016/j.bmcl.2015.09.052 | Serine/threonine-protein kinase pim-3 | 1 |
Data from ChEMBL 36 via Core Engine