Compound Detail
CHEMBL4061755
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Basic Information
| ChEMBL ID | CHEMBL4061755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYXKVCNEOYJWTR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.96
ALogP
4
HBA
2
HBD
96.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-citrate synthase CHEMBL3720 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-citrate synthase | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substra... | 28129980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28129980 | 10.1016/j.bmcl.2017.01.001 | ATP-citrate synthase | 9 |
Data from ChEMBL 36 via Core Engine