Compound Detail
CHEMBL40170
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL40170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGDDVPRZPRKBFZ-QHHAFSJGSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
337.3
MW (Da)
3.52
ALogP
5
HBA
3
HBD
99.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.55 | 5.49 | 2800.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.52 | 5.52 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of PIM1 | 20363627 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2800.0 | nM | 5.55 | Inhibitory activity against HIV-1 Integrase in 3'-end- processing | 10780910 |
| Human immunodeficiency virus 1 | IC50 | = | 3000.0 | nM | 5.52 | Antiviral activities against HIV-1 replication in CEM cells and its ability to l... | 10780910 |
| Human immunodeficiency virus 1 | IC50 | = | 3000.0 | nM | 5.52 | Reduction of viral load in the cell supernatant. | 12361391 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 3700.0 | nM | 5.43 | Inhibitory activity against HIV-1 Integrase in strand transfer (integration) | 10780910 |
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 |
| 20363627 | 10.1016/j.bmcl.2010.03.061 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine