Compound Detail
CHEMBL354943
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
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL354943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXRKSDZVYGJNSN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
925.1
MW (Da)
5.89
ALogP
12
HBA
6
HBD
270.9
PSA (Ų)
0.07
QED
4
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2300.0 | nM | 5.64 | Effective antiviral concentration against HIV-1 infected CEM-SS cells | 9888834 |
| Human immunodeficiency virus 1 | IC50 | = | 43000.0 | nM | 4.37 | Antiviral activity against HIV-1 infected CEM-SS cells was determined in XTT cyt... | 9888834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9888834 | 10.1021/jm9802517 | Human immunodeficiency virus 1 | 2 |
| 9888834 | 10.1021/jm9802517 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine