Compound Detail
CHEMBL1162488
PHENYLPYRUVATE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1162488 |
| Name | PHENYLPYRUVATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTNMPGBKDVTSJY-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
164.2
MW (Da)
0.88
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.54
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 20 CHEMBL5269 | Ki | 4.54 | 4.54 | 28840.3 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.12 | 4.12 | 75857.8 | 1 |
| Solute carrier family 22 member 6 CHEMBL5653 | Ki | 4.1 | 4.1 | 79000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 20 | Ki | = | 28840.32 | nM | 4.54 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 20 | Ki | = | 29000.0 | nM | 4.54 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
| Unchecked | IC50 | = | 75857.76 | nM | 4.12 | Inhibition of glycolic acid oxidase (unknown origin) assessed as enzyme-mediated... | 458816 |
| Solute carrier family 22 member 6 | Ki | = | 79432.82 | nM | 4.1 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 6 | Ki | = | 79000.0 | nM | 4.1 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 6 | Ki | = | 79000.0 | nM | 4.1 | Inhibition of mouse Oat1 expressed in Xenopus oocytes | 21571536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 6 | 2 |
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 20 | 2 |
| 17553798 | 10.1074/jbc.m703467200 | Unchecked | 1 |
| 21571536 | 10.1016/j.bmc.2011.04.045 | Solute carrier family 22 member 6 | 1 |
| 11101640 | 10.1111/j.1469-7793.2000.00285.x | Monocarboxylate transporter 4 | 1 |
| 458816 | 10.1021/jm00192a002 | Unchecked | 1 |
| 27156192 | 10.1016/j.bmc.2016.04.037 | C-terminal-binding protein 2 | 1 |
| 28495381 | 10.1016/j.bmc.2017.04.037 | Casein kinase II subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine