Compound Detail
CHEMBL456791
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Basic Information
| ChEMBL ID | CHEMBL456791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QANIVAYNKKIVHS-JMIUGGIZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.8
MW (Da)
4.03
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.44 | 5.145 | 3600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based a... | 18646746 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of recombinant HIV1 integrase strand transfer activity by high throug... | 18646746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18646746 | 10.1021/jm8001422 | Human immunodeficiency virus type 1 integrase | 4 |
| 18646746 | 10.1021/jm8001422 | Human immunodeficiency virus 1 | 1 |
| 18646746 | 10.1021/jm8001422 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine