Compound Detail
CHEMBL102632
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Basic Information
| ChEMBL ID | CHEMBL102632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRHVCLHQXSTVGR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
237.4
MW (Da)
2.85
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.62 | 6.62 | 240.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 240.0 | nM | 6.62 | In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cell... | 12086487 |
| D(2) dopamine receptor | Ki | = | 630.0 | nM | 6.2 | 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