Compound Detail
CHEMBL277301
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Basic Information
| ChEMBL ID | CHEMBL277301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBUZHZJOHCSLDL-PLQXJYEYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
4.69
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.74
Ki 1 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.69 | 7.69 | 20.6 | 1 |
| D(3) dopamine receptor CHEMBL234 | EC50 | 5.74 | 5.74 | 1819.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 20.6 | nM | 7.69 | Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO c... | 16335915 |
| D(3) dopamine receptor | EC50 | = | 1819.7 | nM | 5.74 | Intrinsic activity against dopamine receptor D3 by Eu-GTP binding assay | 16335915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16335915 | 10.1021/jm050729o | D(3) dopamine receptor | 3 |
Data from ChEMBL 36 via Core Engine