Compound Detail
CHEMBL170622
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Basic Information
| ChEMBL ID | CHEMBL170622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSMKULASQMUADZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181431 |
| Active Moiety | CHEMBL1181431 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
0.87
ALogP
4
HBA
2
HBD
98.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL3427 | Ki | 8.29 | 8.29 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 5.17 | nM | 8.29 | Compound was tested for its ability to displace [3H]- spiperone from D2 binding ... | 2522993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2522993 | 10.1021/jm00124a024 | D(2) dopamine receptor | 3 |
Data from ChEMBL 36 via Core Engine