Compound Detail
CHEMBL4085113
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
Basic Information
| ChEMBL ID | CHEMBL4085113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHDWZGVXHRYAOT-CVLQQERVSA-N |
| Parent Compound | CHEMBL4116473 |
| Active Moiety | CHEMBL4116473 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
2.96
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amino acid transporter CHEMBL3562161 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amino acid transporter | Ki | = | 3000.0 | nM | 5.52 | Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-al... | 28057420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28057420 | 10.1016/j.bmcl.2016.12.063 | Amino acid transporter | 3 |
Data from ChEMBL 36 via Core Engine