Compound Detail
CHEMBL341951
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Basic Information
| ChEMBL ID | CHEMBL341951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMVWYWSCWDAVPG-ORCRQEGFSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
4.09
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.52 | 4.52 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of PIM1 | 20363627 |
| Human immunodeficiency virus 1 | IC50 | = | 30000.0 | nM | 4.52 | Reduction of viral load in the cell supernatant. | 12361391 |
| Human immunodeficiency virus 1 | IC50 | = | 30000.0 | nM | 4.52 | Antiviral activity against HIV1 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361391 | 10.1021/jm020845g | Human immunodeficiency virus 1 | 3 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
| 20363627 | 10.1016/j.bmcl.2010.03.061 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine