Compound Detail
CHEMBL2323628
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Basic Information
| ChEMBL ID | CHEMBL2323628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEAXSGQKIMMBMG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.07
ALogP
6
HBA
0
HBD
77.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetyl-CoA carboxylase 2 CHEMBL4829 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Acetyl-CoA carboxylase 1 CHEMBL3351 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetyl-CoA carboxylase 2 | IC50 | = | 2.1 | nM | 8.68 | Inhibition of human recombinant ACC2 | 24900556 |
| Acetyl-CoA carboxylase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human recombinant ACC1 | 24900556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900556 | 10.1021/ml3004044 | Acetyl-CoA carboxylase 2 | 1 |
| 24900556 | 10.1021/ml3004044 | Acetyl-CoA carboxylase 1 | 1 |
Data from ChEMBL 36 via Core Engine