Compound Detail
CHEMBL3605327
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Basic Information
| ChEMBL ID | CHEMBL3605327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOVWQDUPAVHBNH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3605326 |
| Active Moiety | CHEMBL3605326 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
463.4
MW (Da)
5.53
ALogP
5
HBA
1
HBD
48.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.06 | 7.06 | 87.6 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.25 | 5.25 | 5586.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 87.6 | nM | 7.06 | Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK2... | 26278029 |
| D(3) dopamine receptor | Ki | = | 87.6 | nM | 7.06 | Displacement of [3H]-sulpiride from human D3 receptor expressed in HEK293 cells ... | 30288220 |
| D(2) dopamine receptor | Ki | = | 5586.0 | nM | 5.25 | Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK2... | 26278029 |
| D(2) dopamine receptor | Ki | = | 5586.0 | nM | 5.25 | Displacement of [3H]-sulpiride from human D2 receptor expressed in HEK293 cells ... | 30288220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26278029 | 10.1016/j.bmc.2015.07.072 | D(3) dopamine receptor | 2 |
| 26278029 | 10.1016/j.bmc.2015.07.072 | D(2) dopamine receptor | 2 |
| 26278029 | 10.1016/j.bmc.2015.07.072 | Unchecked | 1 |
| 30288220 | 10.1039/C8MD00237A | Unchecked | 1 |
| 30288220 | 10.1039/C8MD00237A | D(2) dopamine receptor | 1 |
| 30288220 | 10.1039/C8MD00237A | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine