Compound Detail
CHEMBL168357
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Basic Information
| ChEMBL ID | CHEMBL168357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWWZEVQZVDGPGJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.4
MW (Da)
5.48
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.22
Ki 1 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.16 | 8.16 | 6.9 | 1 |
| D(3) dopamine receptor CHEMBL234 | EC50 | 7.22 | 7.22 | 60.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 6.9 | nM | 8.16 | Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO c... | 16335915 |
| D(3) dopamine receptor | EC50 | = | 60.26 | nM | 7.22 | 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