Compound Detail
CHEMBL48450
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Basic Information
| ChEMBL ID | CHEMBL48450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXAMDWYVBFWJLU-ZDUSSCGKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.3
MW (Da)
2.44
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 10.07 | 9.855 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.085 | nM | 10.07 | Competitive binding assay against Dopamine receptor D2 in rat striatal membranes... | 2136916 |
| D(2) dopamine receptor | Ki | = | 0.23 | nM | 9.64 | In vivo compound was evaluated for binding towards Dopamine receptor D2 in rat s... | 2136916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2136916 | 10.1021/jm00163a029 | Rattus norvegicus | 60 |
| 2136916 | 10.1021/jm00163a029 | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine