Compound Detail
CHEMBL501741
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O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL501741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QACZCPQDYIUXRV-WQECCOASSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
576.5
MW (Da)
0.53
ALogP
15
HBA
9
HBD
253.1
PSA (Ų)
0.14
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.0367 | 280.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Inhibition of HIV2 RNase H by FRET assay | 18763827 |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | Inhibition of human RNase H by FRET assay | 18763827 |
| Unchecked | IC50 | = | 5050.0 | nM | 5.3 | 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