Compound Detail
CHEMBL503183
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O=C(OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL503183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STMNAPXMGWBZSF-OAYLZIFXSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
600.5
MW (Da)
0.74
ALogP
15
HBA
9
HBD
257.0
PSA (Ų)
0.11
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.29
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.29 | 5.155 | 5190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5190.0 | nM | 5.29 | Inhibition of HIV2 RNase H by FRET assay | 18763827 |
| Unchecked | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of human RNase H by FRET assay | 18763827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18763827 | 10.1021/np8002518 | Unchecked | 4 |
| 33460740 | 10.1016/j.bmcl.2021.127787 | Unchecked | 4 |
| 32639158 | 10.1021/acs.jnatprod.0c00395 | Cryptococcus neoformans | 2 |
| 32639158 | 10.1021/acs.jnatprod.0c00395 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine