Compound Detail
CHEMBL3798018
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Basic Information
| ChEMBL ID | CHEMBL3798018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXPWIJUEEVCPAI-SECBINFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
0.35
ALogP
4
HBA
2
HBD
73.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 5.29 | 5.29 | 5120.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 4.57 | 4.57 | 27200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 5120.0 | nM | 5.29 | Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells... | 27035329 |
| D(3) dopamine receptor | Ki | = | 27200.0 | nM | 4.57 | Displacement of [3H]N-methylspiperone from human D3 receptor transfected in HEK2... | 27035329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27035329 | 10.1021/acs.jmedchem.5b01612 | D(3) dopamine receptor | 2 |
| 27035329 | 10.1021/acs.jmedchem.5b01612 | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine