Compound Detail
CHEMBL1551957
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Basic Information
| ChEMBL ID | CHEMBL1551957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRBNTWSWPLKACE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
356.4
MW (Da)
2.61
ALogP
6
HBA
1
HBD
54.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 81000.0 | nM | 4.09 | Inhibition of human His-tagged Frataxin/GST-tagged mono ubiquitin interaction ex... | 23506486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23506486 | 10.1021/jm3017199 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine