Compound Detail
CHEMBL272446
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN1CCN(S(=O)(=O)N(C)C2CCCn3c2nc(C(=O)NCc2ccc(F)cc2)c(O)c3=O)CC1
Basic Information
| ChEMBL ID | CHEMBL272446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLIYNHWYALYMOQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
0.28
ALogP
8
HBA
2
HBD
128.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | Inhibition of recombinant HIV1 integrase strand transfer activity | 18217703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18217703 | 10.1021/jm701164t | Human immunodeficiency virus 1 | 2 |
| 18217703 | 10.1021/jm701164t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine