Compound Detail
CHEMBL1958362
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Basic Information
| ChEMBL ID | CHEMBL1958362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBSACQQTGUOIKM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.34
ALogP
6
HBA
1
HBD
93.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetyl-CoA carboxylase 1 CHEMBL2397 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Acetyl-CoA carboxylase 2 CHEMBL4829 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetyl-CoA carboxylase 1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate p... | 22148323 |
| Acetyl-CoA carboxylase 2 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr b... | 22148323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22148323 | 10.1021/jm201503u | Acetyl-CoA carboxylase 1 | 1 |
| 22148323 | 10.1021/jm201503u | Acetyl-CoA carboxylase 2 | 1 |
Data from ChEMBL 36 via Core Engine