Compound Detail
CHEMBL1091996
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Basic Information
| ChEMBL ID | CHEMBL1091996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTGNHBQKKRELGQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
2.92
ALogP
6
HBA
1
HBD
97.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetyl-CoA carboxylase 2 CHEMBL4829 | IC50 | 9.51 | 9.51 | 0.3 | 1 |
| Acetyl-CoA carboxylase 1 CHEMBL2397 | IC50 | 6.74 | 6.74 | 182.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetyl-CoA carboxylase 2 | IC50 | = | 0.31 | nM | 9.51 | Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluore... | 20219367 |
| Acetyl-CoA carboxylase 1 | IC50 | = | 182.0 | nM | 6.74 | Inhibition of rat liver ACC1 after 7 mins by liquid scintillation counter | 20219367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20219367 | 10.1016/j.bmcl.2009.04.091 | Acetyl-CoA carboxylase 1 | 1 |
| 20219367 | 10.1016/j.bmcl.2009.04.091 | Acetyl-CoA carboxylase 2 | 1 |
Data from ChEMBL 36 via Core Engine