Compound Detail
CHEMBL42953
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Basic Information
| ChEMBL ID | CHEMBL42953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRDCKDWZBHLFAS-HNNXBMFYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.82
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 10.7 | 9.33 | 0.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.02 | nM | 10.7 | Inhibition constant against dopamine receptor D2 in rat | 8093734 |
| D(2) dopamine receptor | Ki | = | 1.17 | nM | 8.93 | Compound was evaluated for binding affinity towards dopamine receptor D2 in stri... | 1827843 |
| D(2) dopamine receptor | Ki | = | 4.4 | nM | 8.36 | Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes ... | 1827843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1827843 | 10.1021/jm00109a013 | D(2) dopamine receptor | 2 |
| 8093734 | 10.1021/jm00054a005 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine