Compound Detail
CHEMBL445952
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C[C@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL445952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVKKBNYMTGCECN-YEAZACHOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
584.5
MW (Da)
1.76
ALogP
14
HBA
8
HBD
236.8
PSA (Ų)
0.12
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.495 | 3030.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3030.0 | nM | 5.52 | Inhibition of human RNase H by FRET assay | 18763827 |
| Unchecked | IC50 | = | 3380.0 | nM | 5.47 | Inhibition of HIV2 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