Compound Detail
CHEMBL65107
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CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCC(O)(c4ccc(Cl)cc4)CC3)[nH]2)c1
Basic Information
| ChEMBL ID | CHEMBL65107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLZJOYZGXHWAFR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.0
MW (Da)
4.62
ALogP
5
HBA
2
HBD
82.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 150.0 | nM | 6.82 | Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 wa... | 2889830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2889830 | 10.1021/jm00394a028 | D(2) dopamine receptor | 2 |
| 2889830 | 10.1021/jm00394a028 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine