Compound Detail
CHEMBL2165254
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Basic Information
| ChEMBL ID | CHEMBL2165254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZAGIHBLFSORGU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
290.7
MW (Da)
2.90
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-citrate synthase CHEMBL2745 | IC50 | 6.55 | 6.55 | 283.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-citrate synthase | IC50 | = | 283.0 | nM | 6.55 | Inhibition of rat liver ACLY | 21726077 |
| ATP-citrate synthase | IC50 | = | 283.0 | nM | 6.55 | Inhibition of Wistar rat liver ATP citrate lyase using tripotassium citrate as s... | 27997879 |
| ATP-citrate synthase | IC50 | = | 283.0 | nM | 6.55 | Inhibition of rat liver ACLY by MDH enzyme coupled assay | 30195238 |
| ATP-citrate synthase | IC50 | = | 283.0 | nM | 6.55 | Inhibition of rat liver ACLY incubated for 15 to 60 mins | 37428122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21726077 | 10.1021/jm2005805 | ATP-citrate synthase | 1 |
| 27997879 | 10.1016/j.ejmech.2016.12.018 | ATP-citrate synthase | 1 |
| 30195238 | 10.1016/j.ejmech.2018.09.001 | ATP-citrate synthase | 1 |
| 37428122 | 10.1021/acs.jmedchem.3c00179 | ATP-citrate synthase | 1 |
Data from ChEMBL 36 via Core Engine