Compound Detail
CHEMBL133492
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Basic Information
| ChEMBL ID | CHEMBL133492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGKHGLDXKKYROF-JXMROGBWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
4.05
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.36 | 4.36 | 43651.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 44000.0 | nM | 4.36 | In vitro inhibitory activity against HIV-1 integrase. | 7473544 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 43651.58 | nM | 4.36 | Inhibitory activity against HIV-1 Integrase (HIV-1-IN) | 11831895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473544 | 10.1021/jm00021a006 | Human immunodeficiency virus type 1 integrase | 1 |
| 11831895 | 10.1021/jm010399h | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine