Compound Detail
CHEMBL37431
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Basic Information
| ChEMBL ID | CHEMBL37431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAYZCPRQQOZLMY-ZZXKWVIFSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.53
ALogP
6
HBA
3
HBD
109.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.35 | 5.3233 | 4500.0 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.05 | 5.05 | 9000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of PIM1 | 20363627 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 4500.0 | nM | 5.35 | Inhibitory activity against HIV-1 Integrase in strand transfer (integration) | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 4900.0 | nM | 5.31 | Inhibitory activity against HIV-1 Integrase in 3'-end- processing | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 4897.79 | nM | 5.31 | Inhibition of HIV1 integrase 3' processing activity | 17452064 |
| Human immunodeficiency virus 1 | IC50 | = | 9000.0 | nM | 5.05 | Antiviral activities against HIV-1 replication in CEM cells and its ability to l... | 10780910 |
| Human immunodeficiency virus 1 | IC50 | = | 9000.0 | nM | 5.05 | Reduction of viral load in the cell supernatant. | 12361391 |
| Human immunodeficiency virus 1 | IC50 | = | 9000.0 | nM | 5.05 | 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 |
| 10780910 | 10.1021/jm990467o | Human immunodeficiency virus 1 | 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