Compound Detail
CHEMBL4166074
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O=C(CC(c1ccc(F)cc1)c1ccc(F)cc1)Nc1cccc(F)c1CC[C@H]1CN[C@@H]2CCCS(=O)(=O)N1C2
Basic Information
| ChEMBL ID | CHEMBL4166074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXPVBKYLWIKBKW-RPBOFIJWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
571.7
MW (Da)
4.96
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 21.0 | nM | 7.68 | Antiviral activity against HIV1 infected in GFP expressing human MT4 cells asses... | 29259750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29259750 | 10.1021/acsmedchemlett.7b00386 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine