Compound Detail
CHEMBL211275
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
CCOC(=O)c1cccc(-c2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)c1
Basic Information
| ChEMBL ID | CHEMBL211275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQNVRDPQOJHULQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
5.08
ALogP
5
HBA
1
HBD
79.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
EC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.47 | 6.47 | 340.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.68 | 5.68 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 340.0 | nM | 6.47 | Antiviral activity against HIV1 3B in MT4 cells | 16723225 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of strand transfer activity of HIV integrase | 16723225 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of HIV1 integrase strand transfer activity | 19450984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16723225 | 10.1016/j.bmcl.2006.05.016 | No relevant target | 1 |
| 16723225 | 10.1016/j.bmcl.2006.05.016 | MT4 | 1 |
| 16723225 | 10.1016/j.bmcl.2006.05.016 | Human immunodeficiency virus 1 | 1 |
| 16723225 | 10.1016/j.bmcl.2006.05.016 | Human immunodeficiency virus type 1 integrase | 1 |
| 19450984 | 10.1016/j.bmc.2009.04.058 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine