Compound Detail
CHEMBL3905947
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Basic Information
| ChEMBL ID | CHEMBL3905947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDEYIXBZAKPKCG-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
4.70
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.97 | 6.97 | 107.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 2.3 | nM | 8.64 | Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membr... | 27688181 |
| D(2) dopamine receptor | Ki | = | 107.0 | nM | 6.97 | Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT c... | 27688181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27688181 | 10.1016/j.ejmech.2016.09.036 | D(1A) dopamine receptor | 2 |
| 27688181 | 10.1016/j.ejmech.2016.09.036 | D(2) dopamine receptor | 2 |
| 27688181 | 10.1016/j.ejmech.2016.09.036 | D(3) dopamine receptor | 2 |
| 27688181 | 10.1016/j.ejmech.2016.09.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine