Compound Detail
CHEMBL3963862
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Basic Information
| ChEMBL ID | CHEMBL3963862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYGXIFKVFAKJNM-FQEVSTJZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
5.48
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.17 | 7.17 | 68.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.14 | 6.14 | 731.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.5 | 5.5 | 3171.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 68.0 | nM | 7.17 | Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membr... | 27688181 |
| D(2) dopamine receptor | Ki | = | 731.0 | nM | 6.14 | Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT c... | 27688181 |
| D(3) dopamine receptor | Ki | = | 3171.0 | nM | 5.5 | Displacement of [3H]N-methylspiperone from human D3 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