Compound Detail
CHEMBL1451483
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O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(=O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL1451483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEASWHWETFMWCV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
868.7
MW (Da)
4.18
ALogP
20
HBA
13
HBD
351.1
PSA (Ų)
0.08
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomere resolvase ResT CHEMBL1667698 | IC50 | 5.56 | 5.56 | 2730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomere resolvase ResT | IC50 | = | 2730.0 | nM | 5.56 | Inhibition of Borrelia burgdorferi telomere resolvase by gel-based telomere reso... | 19596868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19596868 | 10.1128/aac.00529-09 | Telomere resolvase ResT | 4 |
Data from ChEMBL 36 via Core Engine