Compound Detail
CHEMBL2171865
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Basic Information
| ChEMBL ID | CHEMBL2171865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BREQIQSYWKBZPE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.99
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.15 | 4.15 | 70070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of amyloid beta (1 to 42) aggregation after 24 hrs by Thioflavin-T fl... | 22966981 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 70070.0 | nM | 4.15 | Binding affinity to His6-tagged recombinant HIV1 Integrase assessed as inhibitio... | 26150289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26150289 | 10.1016/j.ejmech.2015.06.036 | Human immunodeficiency virus type 1 integrase | 2 |
| 22966981 | 10.1021/jm301105m | Unchecked | 1 |
| 26150289 | 10.1016/j.ejmech.2015.06.036 | Human immunodeficiency virus 1 | 1 |
| 26150289 | 10.1016/j.ejmech.2015.06.036 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine