Compound Detail
CHEMBL355871
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CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL355871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTYIADUBGFZFSV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
698.8
MW (Da)
4.64
ALogP
10
HBA
4
HBD
184.7
PSA (Ų)
0.16
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1500.0 | nM | 5.82 | Effective antiviral concentration against HIV-1 infected CEM-SS cells | 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