Compound Detail
CHEMBL517610
NYSSOSIDE Enter ChEMBL ID:
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COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(=O)oc3c4c(cc5c(=O)oc1c2c35)OCO4
Basic Information
| ChEMBL ID | CHEMBL517610 |
| Name | NYSSOSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSBCRZZTWJVLJV-CGWYSGAGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
490.4
MW (Da)
-0.59
ALogP
13
HBA
4
HBD
187.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Saccharomyces cerevisiae CHEMBL361 | IC50 | 6.47 | 5.7533 | 341.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Saccharomyces cerevisiae | IC50 | = | 341.0 | nM | 6.47 | DNA damaging activity against YCp50 transformed Saccharomyces cerevisiae in gluc... | 12502343 |
| Saccharomyces cerevisiae | IC50 | = | 1120.0 | nM | 5.95 | DNA damaging activity against RAD52 transformed Saccharomyces cerevisiae in gluc... | 12502343 |
| Saccharomyces cerevisiae | IC50 | = | 14400.0 | nM | 4.84 | DNA damaging activity against RAD52 transformed Saccharomyces cerevisiae in gala... | 12502343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502343 | 10.1021/np020285o | Saccharomyces cerevisiae | 3 |
| 12502337 | 10.1021/np020289t | Unchecked | 1 |
| 12502337 | 10.1021/np020289t | Candida albicans | 1 |
| 12502337 | 10.1021/np020289t | Cryptococcus neoformans | 1 |
Data from ChEMBL 36 via Core Engine