Compound Detail
CHEMBL212320
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Basic Information
| ChEMBL ID | CHEMBL212320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LECMSGCIFVVUCD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
2.94
ALogP
6
HBA
1
HBD
100.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.93 | 5.93 | 1180.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.62 | 5.62 | 2400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 1180.0 | nM | 5.93 | Antiviral activity against HIV1 3B in MT4 cells | 16723225 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of strand transfer activity of HIV integrase | 16723225 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2400.0 | nM | 5.62 | 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