Compound Detail
CHEMBL3335714
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Basic Information
| ChEMBL ID | CHEMBL3335714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUVIBICSCQYQOE-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
173.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-butyrobetaine dioxygenase CHEMBL2163175 | IC50 | 4.77 | 4.56 | 17000.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-butyrobetaine dioxygenase | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluoresce... | 25266780 |
| Gamma-butyrobetaine dioxygenase | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluoresce... | 25266780 |
| Gamma-butyrobetaine dioxygenase | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluoresce... | 25266780 |
| Gamma-butyrobetaine dioxygenase | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluoresce... | 25266780 |
| Gamma-butyrobetaine dioxygenase | IC50 | = | 54000.0 | nM | 4.27 | Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein... | 25266780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25266780 | 10.1016/j.bmcl.2014.09.035 | Gamma-butyrobetaine dioxygenase | 10 |
Data from ChEMBL 36 via Core Engine