Compound Detail
CHEMBL39301
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Basic Information
| ChEMBL ID | CHEMBL39301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMJJJIOBTAPKHD-DAFODLJHSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
465.1
MW (Da)
5.04
ALogP
4
HBA
3
HBD
90.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.92 | 5.9 | 1200.0 | 3 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.68 | 5.68 | 2100.0 | 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 |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity against HIV-1 Integrase in strand transfer (integration) | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1300.0 | nM | 5.89 | Inhibitory activity against HIV-1 Integrase in 3'-end- processing | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1288.25 | nM | 5.89 | Inhibition of HIV1 integrase 3' processing activity | 17452064 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 2100.0 | nM | 5.68 | 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 |
| 10780910 | 10.1021/jm990467o | Human immunodeficiency virus type 1 integrase | 2 |
| 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 |
| 17452064 | 10.1016/j.ejmech.2007.02.021 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine