Compound Detail
CHEMBL4162627
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
C[C@@H]1CNC[C@H](CCc2c(F)cccc2NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)N1S(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4162627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKXSVHQEPFONSZ-LXFBAYGMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
621.7
MW (Da)
6.25
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 70.0 | nM | 7.16 | 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