Compound Detail
CHEMBL1161516
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Basic Information
| ChEMBL ID | CHEMBL1161516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXLSPXONMWOWKM-ACFHMISVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.15
ALogP
6
HBA
5
HBD
110.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 199.53 | nM | 6.7 | Inhibitory activity against HIV-1 Integrase (HIV-1-IN) | 11831895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29126723 | 10.1016/j.ejmech.2017.09.028 | PC-12 | 4 |
| 11831895 | 10.1021/jm010399h | Human immunodeficiency virus type 1 integrase | 1 |
| 29126723 | 10.1016/j.ejmech.2017.09.028 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine