Compound Detail
CHEMBL1649740
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O=C(O)c1ccc2c3c(cccc13)C(=O)N(c1ccc(-c3nc4ccc(N5C(=O)c6cccc7c(C(=O)O)ccc(c67)C5=O)cc4[nH]3)cc1)C2=O
Basic Information
| ChEMBL ID | CHEMBL1649740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKPKUIGESDIPJF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
672.6
MW (Da)
6.53
ALogP
7
HBA
3
HBD
178.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomere resolvase ResT CHEMBL1667698 | IC50 | 5.5 | 5.5 | 3160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomere resolvase ResT | IC50 | = | 3160.0 | nM | 5.5 | 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