Compound Detail
CHEMBL497246
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Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1
Basic Information
| ChEMBL ID | CHEMBL497246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLAGHEHNXGHJGK-XAOCGEIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
2.76
ALogP
6
HBA
2
HBD
106.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Simian immunodeficiency virus CHEMBL613499 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Simian immunodeficiency virus | EC50 | = | 170.0 | nM | 6.77 | Antiviral activity against SIV-induced syncytium in human CEM174 cells assessed ... | 19297155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19297155 | 10.1016/j.bmcl.2009.02.116 | Structural capsid protein | 4 |
| 19297155 | 10.1016/j.bmcl.2009.02.116 | ADMET | 2 |
| 19297155 | 10.1016/j.bmcl.2009.02.116 | Simian immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine