Compound Detail
CHEMBL559306
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Basic Information
| ChEMBL ID | CHEMBL559306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYJNQFQHQWBWGT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
1.20
ALogP
6
HBA
2
HBD
87.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 57.0 | % | 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 | = | 6.0 | nM | 8.22 | Inhibition of HIV1 recombinant integrase strand transfer activity treated after ... | 19523819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19523819 | 10.1016/j.bmcl.2009.05.098 | Human immunodeficiency virus 1 | 2 |
| 19523819 | 10.1016/j.bmcl.2009.05.098 | Rattus norvegicus | 2 |
| 19523819 | 10.1016/j.bmcl.2009.05.098 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine