Compound Detail
CHEMBL57901
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Basic Information
| ChEMBL ID | CHEMBL57901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYUUPGPKUVPULM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
4.28
ALogP
2
HBA
1
HBD
22.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 16.0 | nM | 7.8 | Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum | 2902226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2902226 | 10.1021/jm00118a011 | D(2) dopamine receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Dopamine receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine