Compound Detail
CHEMBL491685
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Basic Information
| ChEMBL ID | CHEMBL491685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQSSBVHVWLNQLM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.3
MW (Da)
2.86
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of HIV1 recombinant integrase strand transfer activity | 19217781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19217781 | 10.1016/j.bmcl.2009.01.090 | Human immunodeficiency virus type 1 integrase | 1 |
| 19217781 | 10.1016/j.bmcl.2009.01.090 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine