Compound Detail
CHEMBL3234371
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Basic Information
| ChEMBL ID | CHEMBL3234371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXBKBYVJNFLQHC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3306335 |
| Active Moiety | CHEMBL3306335 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
0.26
ALogP
1
HBA
2
HBD
57.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-butyrobetaine dioxygenase CHEMBL2163175 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-butyrobetaine dioxygenase | IC50 | = | 100.0 | nM | 7.0 | 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