Compound Detail
CHEMBL104135
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Basic Information
| ChEMBL ID | CHEMBL104135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFLPJFUVXSSHKS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.4
MW (Da)
3.98
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.61 | 6.61 | 247.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.69 | 5.69 | 2037.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 247.0 | nM | 6.61 | In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cell... | 12086487 |
| D(2) dopamine receptor | Ki | = | 2037.0 | nM | 5.69 | In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cell... | 12086487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086487 | 10.1021/jm001015a | D(2) dopamine receptor | 1 |
| 12086487 | 10.1021/jm001015a | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine