Compound Detail
CHEMBL851
PHENYL PROPIONIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL851 |
| Name | PHENYL PROPIONIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMIIGOLPHOKFCH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
15
Publications
0
Known Names
Molecular Properties
150.2
MW (Da)
1.70
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 2.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | Kd | 2.5 | 2.5 | 3200000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.095 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | Kd | = | 3200000.0 | nM | 2.5 | Binding affinity to human recombinant His-tagged Keap1 Kelch domain (321 to 609 ... | 33818106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19615910 | 10.1016/j.bmc.2009.06.057 | NON-PROTEIN TARGET | 6 |
| 19615910 | 10.1016/j.bmc.2009.06.057 | Tyrosinase | 6 |
| 19615910 | 10.1016/j.bmc.2009.06.057 | Unchecked | 5 |
| 26967507 | 10.1021/acs.jmedchem.5b01963 | No relevant target | 4 |
| 33818106 | 10.1021/acs.jmedchem.0c02094 | Kelch-like ECH-associated protein 1 | 3 |
| 26967507 | 10.1021/acs.jmedchem.5b01963 | ADMET | 2 |
| 29729985 | 10.1016/j.bmc.2018.04.043 | Amyloid-beta precursor protein | 2 |
| 33848153 | 10.1021/acs.jmedchem.1c00124 | Unchecked | 2 |
| 6094812 | 10.1021/jm00378a021 | ADMET | 1 |
| 19615910 | 10.1016/j.bmc.2009.06.057 | B16 | 1 |
| 915902 | 10.1021/jm00221a013 | Unchecked | 1 |
| 26967507 | 10.1021/acs.jmedchem.5b01963 | Molecular identity unknown | 1 |
| 27156192 | 10.1016/j.bmc.2016.04.037 | C-terminal-binding protein 2 | 1 |
| 29729985 | 10.1016/j.bmc.2018.04.043 | No relevant target | 1 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | ATP-dependent Clp protease proteolytic subunit | 1 |
Data from ChEMBL 36 via Core Engine