Compound Detail
CHEMBL1649741
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL1649741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAQOLNGSQBINHO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
8.44
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
| Telomere resolvase ResT CHEMBL1667698 | IC50 | 5.02 | 5.02 | 9520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2150.0 | nM | 5.67 | Inhibition of Yersinia pestis YopH catalytic domain (residues 163-468) using pNP... | 23294700 |
| Telomere resolvase ResT | IC50 | = | 9520.0 | nM | 5.02 | 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 |
| 23294700 | 10.1016/j.bmcl.2012.12.018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine