Compound Detail
CHEMBL272172
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CN(C(=O)CS(=O)(=O)N(C)C)[C@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
Basic Information
| ChEMBL ID | CHEMBL272172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAKGCWPAZQCGTD-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
0.20
ALogP
8
HBA
2
HBD
141.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
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 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 55.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 17.0 | % | Rattus norvegicus |
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 | Liver microsomes | 4 |
| 18217703 | 10.1021/jm701164t | Plasma | 3 |
| 18217703 | 10.1021/jm701164t | Human immunodeficiency virus 1 | 2 |
| 18217703 | 10.1021/jm701164t | Liver | 2 |
| 18217703 | 10.1021/jm701164t | Rattus norvegicus | 2 |
| 18217703 | 10.1021/jm701164t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine