Compound Detail
CHEMBL512006
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COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL512006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDTSJBBWPPXYNU-HUXSYLCKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
2.75
ALogP
6
HBA
3
HBD
117.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Simian immunodeficiency virus CHEMBL613499 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Simian immunodeficiency virus | EC50 | = | 210.0 | nM | 6.68 | 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