Compound Detail
CHEMBL570572
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Basic Information
| ChEMBL ID | CHEMBL570572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFFREFOLUDXEJZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
502.8
MW (Da)
4.57
ALogP
6
HBA
0
HBD
13.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 5.3 | 5.3 | 5011.9 | 1 |
| D-3-phosphoglycerate dehydrogenase CHEMBL2311243 | IC50 | 4.65 | 4.65 | 22500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid ... | 19883085 |
| D-3-phosphoglycerate dehydrogenase | IC50 | = | 22500.0 | nM | 4.65 | Inhibition of human PHGDH by fluorescence based analysis | 33756126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19883085 | 10.1021/jm901323s | Monoglyceride lipase | 2 |
| 19883085 | 10.1021/jm901323s | Fatty-acid amide hydrolase 1 | 1 |
| 33756126 | 10.1016/j.ejmech.2021.113379 | D-3-phosphoglycerate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine