Compound Detail
CHEMBL217285
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Basic Information
| ChEMBL ID | CHEMBL217285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUOVSBFFBCDNHK-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
277.2
MW (Da)
0.85
ALogP
4
HBA
3
HBD
95.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.22 | 7.22 | 60.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.22 | 6.4 | 60.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of HIV integrase by strand transfer assay | 17154493 |
| Unchecked | IC50 | = | 60.0 | nM | 7.22 | Inhibition of HIV1 integrase strand transfer activity | 17428043 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of HIV-1 integrase | 24074025 |
| Unchecked | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of HIV integrase strand transfer activity | 20457521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154493 | 10.1021/jm060854f | Human immunodeficiency virus | 2 |
| 20457521 | 10.1016/j.bmcl.2010.04.048 | Unchecked | 2 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 2 |
| 17154493 | 10.1021/jm060854f | Human immunodeficiency virus type 1 integrase | 1 |
| 17428043 | 10.1021/jm070027u | Unchecked | 1 |
| 24074025 | 10.1021/jm401053m | Macrophage metalloelastase | 1 |
| 24074025 | 10.1021/jm401053m | Trypsin | 1 |
| 24074025 | 10.1021/jm401053m | Tyrosinase | 1 |
| 24074025 | 10.1021/jm401053m | Histone deacetylase 2 | 1 |
| 24074025 | 10.1021/jm401053m | Carbonic anhydrase 2 | 1 |
| 24074025 | 10.1021/jm401053m | 72 kDa type IV collagenase | 1 |
| 24074025 | 10.1021/jm401053m | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine