Compound Detail
CHEMBL492682
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CN1CCN(C(=O)C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)CC1
Basic Information
| ChEMBL ID | CHEMBL492682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPAFVBVGSXRSSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
-0.32
ALogP
8
HBA
3
HBD
136.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 26.0 | nM | 7.58 | Inhibition of HIV1 recombinant integrase strand transfer activity | 18763751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18763751 | 10.1021/jm800245z | Human immunodeficiency virus 1 | 2 |
| 18763751 | 10.1021/jm800245z | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine