Compound Detail
CHEMBL5573112
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Basic Information
| ChEMBL ID | CHEMBL5573112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSVOREQCWCWHCQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
340.9
MW (Da)
3.71
ALogP
4
HBA
3
HBD
48.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetyl-CoA acetyltransferase, cytosolic CHEMBL2240 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetyl-CoA acetyltransferase, cytosolic | IC50 | = | 22.0 | nM | 7.66 | Inhibition of Acetyl-CoA acetyltransferase (unknown origin) | 38171251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38171251 | 10.1016/j.bmc.2023.117564 | Acetyl-CoA acetyltransferase, cytosolic | 1 |
Data from ChEMBL 36 via Core Engine