Compound Detail
CHEMBL470234
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Basic Information
| ChEMBL ID | CHEMBL470234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQIHXZDRQAKOMS-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.8
MW (Da)
2.88
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.12
EC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | EC50 | 4.24 | 4.24 | 57220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 7500.0 | nM | 5.12 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | 11141124 |
| D(4) dopamine receptor | EC50 | = | 57220.0 | nM | 4.24 | Agonist activity at D4 receptor (unknown origin) | 39038276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11141124 | 10.1021/np0002278 | Radical scavenging activity | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(4) dopamine receptor | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | Amine oxidase [flavin-containing] A | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine