Compound Detail
CHEMBL1649743
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Basic Information
| ChEMBL ID | CHEMBL1649743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMVQWNRDPAAMJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
5.72
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomere resolvase ResT CHEMBL1667698 | IC50 | 5.58 | 5.58 | 2620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomere resolvase ResT | IC50 | = | 2620.0 | nM | 5.58 | 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 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | GroEL/GroES | 2 |
Data from ChEMBL 36 via Core Engine