Compound Detail
CHEMBL1232385
T-BUTYLACETIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1232385 |
| Name | T-BUTYLACETIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLMQPDHYNJCQAO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
116.2
MW (Da)
1.51
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.04 | 6.04 | 910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 910.0 | nM | 6.04 | Reduction of propionyl-CoA in human hepatocytes derived from propionic acidemia ... | 33848153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20715837 | 10.1021/jf101827v | Lolium rigidum | 9 |
| 20715837 | 10.1021/jf101827v | Radish | 9 |
| 33848153 | 10.1021/acs.jmedchem.1c00124 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine