Compound Detail
CHEMBL190035
3-Hydroxyphenylacetate Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL190035 |
| Name | 3-Hydroxyphenylacetate |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVMDYYGIDFPZAX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
152.2
MW (Da)
1.02
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.89
Ki 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL2359 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL2359 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Gamma-hydroxybutyrate receptor CHEMBL3558 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | IC50 | = | 0.13 | nM | 9.89 | Inhibition of [3H]NCS-382 binding to CaMK2alpha in rat cerebrocortical membranes | 35500061 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | Ki | = | 125.89 | nM | 6.9 | Inhibition of [3H]NCS-382 binding to CaMK2alpha in rat cerebrocortical membranes | 35500061 |
| Gamma-hydroxybutyrate receptor | IC50 | = | 12000.0 | nM | 4.92 | Displacement of [3H]NCS-382 (16 nM) from GHB receptor of rat cerebrocortical mem... | 15927467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35500061 | 10.1021/acs.jmedchem.1c02177 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 2 |
| 15927467 | 10.1016/j.bmcl.2005.05.011 | Gamma-hydroxybutyrate receptor | 1 |
| 15927467 | 10.1016/j.bmcl.2005.05.011 | GABA-A receptor; anion channel | 1 |
| 15927467 | 10.1016/j.bmcl.2005.05.011 | GABA B receptor | 1 |
| 24245939 | 10.1021/np400518k | HT-22 | 1 |
Data from ChEMBL 36 via Core Engine