Compound Detail
CHEMBL487882
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Basic Information
| ChEMBL ID | CHEMBL487882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAOVCQUYSSLPTO-LCNLFYOSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
4.04
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Inhibition of TrxR preincuabatd for 2 mins | 18678491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18678491 | 10.1016/j.bmc.2008.07.054 | A549 | 2 |
| 18678491 | 10.1016/j.bmc.2008.07.054 | Unchecked | 1 |
| 18678491 | 10.1016/j.bmc.2008.07.054 | HepG2 | 1 |
| 18678491 | 10.1016/j.bmc.2008.07.054 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine