Compound Detail
CHEMBL140258
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Basic Information
| ChEMBL ID | CHEMBL140258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZJWRRMYYXEGFD-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.9
MW (Da)
4.02
ALogP
3
HBA
1
HBD
46.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.66 | 6.48 | 220.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.04 | 6.04 | 920.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 3.4 | nM | 8.47 | Displacement of [3H]spiperone from human Dopamine receptor D4.4 expressed in CHO... | 11087581 |
| D(2) dopamine receptor | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]spiperone from human Dopamine receptor D2S expressed in CHO ... | 11087581 |
| D(2) dopamine receptor | Ki | = | 500.0 | nM | 6.3 | Displacement of [3H]spiperone from human Dopamine receptor D2L expressed in CHO ... | 11087581 |
| D(3) dopamine receptor | Ki | = | 920.0 | nM | 6.04 | Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in CHO c... | 11087581 |
| D(1A) dopamine receptor | Ki | = | 1900.0 | nM | 5.72 | Binding affinity against Dopamine receptor D1 from bovine striatal membranes usi... | 11087581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087581 | 10.1021/jm0009989 | D(2) dopamine receptor | 2 |
| 11087581 | 10.1021/jm0009989 | D(1A) dopamine receptor | 1 |
| 11087581 | 10.1021/jm0009989 | D(3) dopamine receptor | 1 |
| 11087581 | 10.1021/jm0009989 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine