Compound Detail
CHEMBL82742
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Basic Information
| ChEMBL ID | CHEMBL82742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMUHMVLTTXRCBH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
5.00
ALogP
8
HBA
1
HBD
120.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.65 | 4.55 | 22500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 22500.0 | nM | 4.65 | Integration of DNA by HIV -1 integrase | 9003523 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 35700.0 | nM | 4.45 | Inhibitory activity against 3'-processing of DNA by HIV-1 integrase | 9003523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9003523 | 10.1021/jm960450v | Human immunodeficiency virus type 1 integrase | 2 |
| - | 10.1007/s00044-010-9520-1 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine