Compound Detail
CHEMBL418791
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Basic Information
| ChEMBL ID | CHEMBL418791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFOJCADGVHYVJC-NVXWUHKLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
1
Known Names
Molecular Properties
281.4
MW (Da)
2.99
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.02 | 6.02 | 955.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 121.0 | nM | 6.92 | Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal ... | 7830274 |
| D(1A) dopamine receptor | IC50 | = | 955.0 | nM | 6.02 | Binding affinity against Dopamine receptor D1 by using [3H]SCH-23390 as radiolig... | 7830274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568818 | 10.1021/jm9502100 | D(1A) dopamine receptor | 2 |
| 7830274 | 10.1021/jm00002a013 | D(1A) dopamine receptor | 1 |
| 7830274 | 10.1021/jm00002a013 | D(2) dopamine receptor | 1 |
| 7830274 | 10.1021/jm00002a013 | Rattus norvegicus | 1 |
| 8568818 | 10.1021/jm9502100 | D(2) dopamine receptor | 1 |
| 8568818 | 10.1021/jm9502100 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine