Compound Detail
CHEMBL1834956
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Basic Information
| ChEMBL ID | CHEMBL1834956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAHMKJJFOGZIDP-SNAWJCMRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.46
ALogP
5
HBA
3
HBD
116.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystine/glutamate transporter CHEMBL1075149 | IC50 | 4.52 | 4.34 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystine/glutamate transporter | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of xCT-mediated cystein/glutamate transporter (unknown origin) assess... | 30522056 |
| Cystine/glutamate transporter | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U... | 21889337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21889337 | 10.1016/j.bmcl.2011.07.081 | Cystine/glutamate transporter | 1 |
| 30522056 | 10.1016/j.ejmech.2018.11.066 | Cystine/glutamate transporter | 1 |
Data from ChEMBL 36 via Core Engine