Compound Detail
CHEMBL310585
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 | CHEMBL310585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPZSZSLEYIXZRA-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
3.30
ALogP
9
HBA
4
HBD
154.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.6 | 4.2175 | 25000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 25000.0 | nM | 4.6 | Integration of DNA by HIV -1 integrase | 9003523 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 62000.0 | nM | 4.21 | Inhibitory activity against 3'-processing of DNA by HIV-1 integrase | 9003523 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 89000.0 | nM | 4.05 | Inhibitory activity against 3'-processing of DNA by HIV-1 integrase | 9003523 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 97000.0 | nM | 4.01 | Integration of DNA by HIV -1 integrase | 9003523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9003523 | 10.1021/jm960450v | Human immunodeficiency virus type 1 integrase | 5 |
Data from ChEMBL 36 via Core Engine