Compound Detail
CHEMBL1223472
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Cn1c([C@@H]2C[C@H](F)CN2S(C)(=O)=O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
Basic Information
| ChEMBL ID | CHEMBL1223472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUQLQAPYMYISEO-STQMWFEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
0.60
ALogP
7
HBA
2
HBD
121.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 15.0 | nM | 7.82 | Inhibition of HIV 1 recombinant integrase | 20674351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20674351 | 10.1016/j.bmcl.2010.07.042 | Human immunodeficiency virus 1 | 2 |
| 20674351 | 10.1016/j.bmcl.2010.07.042 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine