Compound Detail
CHEMBL495398
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Basic Information
| ChEMBL ID | CHEMBL495398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTXPSQFSJWKKSG-YVMONPNESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
239.7
MW (Da)
2.66
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human recombinant Pim2 by ATP depletion assay | 19072652 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human recombinant Pim1 by ATP depletion assay | 19072652 |
| PC-3 | IC50 | = | 63000.0 | nM | 4.2 | Antiproliferative activity against human PC3 cells after 48 hrs by MTS assay | 19072652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19072652 | 10.1021/jm800937p | Serine/threonine-protein kinase pim-1 | 1 |
| 19072652 | 10.1021/jm800937p | Serine/threonine-protein kinase pim-2 | 1 |
| 19072652 | 10.1021/jm800937p | PC-3 | 1 |
| 23419324 | 10.1016/j.bmc.2013.01.029 | Radical scavenging activity | 1 |
| 23419324 | 10.1016/j.bmc.2013.01.029 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine