Compound Detail
CHEMBL4086953
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Basic Information
| ChEMBL ID | CHEMBL4086953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPQQZVGMKIYWDG-SSEXGKCCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
519.8
MW (Da)
6.89
ALogP
5
HBA
1
HBD
48.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.91 | 6.91 | 124.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.85 | 6.85 | 141.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 124.0 | nM | 6.91 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed... | 28300398 |
| D(3) dopamine receptor | Ki | = | 141.0 | nM | 6.85 | Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed... | 28300398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28300398 | 10.1021/acs.jmedchem.6b01875 | Unchecked | 1 |
| 28300398 | 10.1021/acs.jmedchem.6b01875 | D(3) dopamine receptor | 1 |
| 28300398 | 10.1021/acs.jmedchem.6b01875 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine