Compound Detail
CHEMBL322719
PIVALATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL322719 |
| Name | PIVALATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUGYQRQAERSCNH-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
102.1
MW (Da)
1.12
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.26
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.26 | 5.26 | 5530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 5530.0 | nM | 5.26 | Reduction of propionyl-CoA in human hepatocytes derived from propionic acidemia ... | 33848153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10560743 | 10.1016/s0960-894x(99)00547-8 | K562 | 6 |
| 33848153 | 10.1021/acs.jmedchem.1c00124 | Unchecked | 2 |
| 10525100 | - | Organic cation/carnitine transporter 2 | 1 |
Data from ChEMBL 36 via Core Engine