Compound Detail
CHEMBL578805
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Basic Information
| ChEMBL ID | CHEMBL578805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHVXHXIGDKZIBU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
420.7
MW (Da)
5.98
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldehyde dehydrogenase 1A1 CHEMBL3577 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 5.39 | 5.39 | 4073.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldehyde dehydrogenase 1A1 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of ALDH1A1 (unknown origin) | 33744437 |
| Monoglyceride lipase | IC50 | = | 4073.8 | nM | 5.39 | Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid ... | 19883085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19883085 | 10.1021/jm901323s | Monoglyceride lipase | 2 |
| 33744437 | 10.1016/j.bmcl.2021.127958 | Aldehyde dehydrogenase 1A1 | 2 |
| 19883085 | 10.1021/jm901323s | Fatty-acid amide hydrolase 1 | 1 |
| 33744437 | 10.1016/j.bmcl.2021.127958 | Aldehyde dehydrogenase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine