Compound Detail
CHEMBL2036490
SCOLOCHINENOSIDE D Enter ChEMBL ID:
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O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2COC(=O)c2cccc(O)c2O)[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2036490 |
| Name | SCOLOCHINENOSIDE D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBIYNFBGLPYNLC-AWVJDWFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
646.6
MW (Da)
3.07
ALogP
13
HBA
5
HBD
198.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of Dengue virus NS5 polymerase assessed as inhibition of radiolabeled... | 22439591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22439591 | 10.1021/np300059n | Unchecked | 1 |
| 22439591 | 10.1021/np300059n | Vero | 1 |
Data from ChEMBL 36 via Core Engine