Compound Detail
CHEMBL5085749
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 | CHEMBL5085749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGQOUPAIYMWWLS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
4.72
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.11 | 4.08 | 78000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 78000.0 | nM | 4.11 | Inhibition of B0AT1 (unknown origin) by radiolabled uptake assay | 34718128 |
| Unchecked | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of B0AT1 (unknown origin) by FLIPR assay | 34718128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34718128 | 10.1016/j.bmcl.2021.128421 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine