Compound Detail
CHEMBL4117318
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Basic Information
| ChEMBL ID | CHEMBL4117318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGZXVJFWNYBRFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.4
MW (Da)
6.35
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | EC50 | = | 18.0 | nM | 7.75 | Partial agonist activity at human dopamine D3 receptor expressed in CHO cells as... | 31940507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31940507 | 10.1016/j.ejmech.2019.111975 | D(3) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine