Compound Detail
CHEMBL3234365
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Basic Information
| ChEMBL ID | CHEMBL3234365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLCUGIJRZJSQKV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3306801 |
| Active Moiety | CHEMBL3306801 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
239.1
MW (Da)
1.32
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-butyrobetaine dioxygenase CHEMBL2163175 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-butyrobetaine dioxygenase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 ... | 24571165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24571165 | 10.1021/jm401603e | Gamma-butyrobetaine dioxygenase | 1 |
Data from ChEMBL 36 via Core Engine