Compound Detail
CHEMBL478452
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Basic Information
| ChEMBL ID | CHEMBL478452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQHRBYOCKAFRDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
1.75
ALogP
7
HBA
2
HBD
129.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.91 | 6.91 | 123.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 17.2 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 4.0 | % | Rattus norvegicus |
| T1/2 | 0.67 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 123.0 | nM | 6.91 | Inhibition of recombinant HIV1 integrase strand transfer activity using immobili... | 18774711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18774711 | 10.1016/j.bmcl.2008.08.038 | Rattus norvegicus | 3 |
| 18774711 | 10.1016/j.bmcl.2008.08.038 | Human immunodeficiency virus 1 | 2 |
| 18774711 | 10.1016/j.bmcl.2008.08.038 | Human immunodeficiency virus type 1 integrase | 1 |
| 18774711 | 10.1016/j.bmcl.2008.08.038 | Plasma | 1 |
| 18774711 | 10.1016/j.bmcl.2008.08.038 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine