Compound Detail
CHEMBL5088149
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Basic Information
| ChEMBL ID | CHEMBL5088149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNVAGBJLDWIXEY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5095825 |
| Active Moiety | CHEMBL5095825 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
4.25
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.75 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of B0AT1 (unknown origin) by radiolabled uptake assay | 34718128 |
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | 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