Compound Detail
CHEMBL506679
HYEMALOSIDE C Enter ChEMBL ID:
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O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](Oc2ccc(O)cc2)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL506679 |
| Name | HYEMALOSIDE C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIUWKTLZFMHRQE-RYQQTUIDSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
878.7
MW (Da)
2.48
ALogP
23
HBA
13
HBD
386.6
PSA (Ų)
0.07
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.16 | 6.3867 | 70.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 70.0 | nM | 7.16 | Inhibition of human RNase H by FRET assay | 18763827 |
| Unchecked | IC50 | = | 840.0 | nM | 6.08 | Inhibition of HIV2 RNase H by FRET assay | 18763827 |
| Unchecked | IC50 | = | 1190.0 | nM | 5.92 | Inhibition of HIV1 RNase H by FRET assay | 18763827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18763827 | 10.1021/np8002518 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine