Compound Detail
CHEMBL607712
4-HYDROXYPHENYLPYRUVIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL607712 |
| Name | 4-HYDROXYPHENYLPYRUVIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKADPXVIOXHVKN-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
180.2
MW (Da)
0.59
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 4.18
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 20 CHEMBL5269 | Ki | 4.18 | 4.18 | 66000.0 | 2 |
| Solute carrier family 22 member 6 CHEMBL5653 | Ki | 4.14 | 4.14 | 72443.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 20 | Ki | = | 66069.34 | nM | 4.18 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 20 | Ki | = | 66000.0 | nM | 4.18 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 6 | Ki | = | 72443.6 | nM | 4.14 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 6 | Ki | = | 73000.0 | nM | 4.14 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 6 | Ki | = | 73000.0 | nM | 4.14 | Inhibition of mouse Oat1 expressed in Xenopus oocytes assessed as inhibition 6-c... | 21571536 |
| Solute carrier family 22 member 6 | Ki | = | 73000.0 | nM | 4.14 | Inhibition of mouse Oat1 expressed in Xenopus oocytes | 21571536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19090668 | 10.1021/jm801100v | Macrophage migration inhibitory factor | 4 |
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 6 | 2 |
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 20 | 2 |
| 21571536 | 10.1016/j.bmc.2011.04.045 | Solute carrier family 22 member 6 | 2 |
| 17553798 | 10.1074/jbc.m703467200 | Unchecked | 1 |
| - | 10.1039/C1MD00188D | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine