Compound Detail
CHEMBL40284
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Basic Information
| ChEMBL ID | CHEMBL40284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCPWSWCLJDFHBL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
3.50
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 18.0 | nM | 7.75 | Ability to displace [3H]ketanserin binding to human 5-hydroxytryptamine 2A recep... | 11334570 |
| D(2) dopamine receptor | Ki | = | 1600.0 | nM | 5.8 | Ability to displace [3H]spiperone binding to CHO cells stably expressing dopamin... | 11334570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11334570 | 10.1021/jm0004998 | 5-hydroxytryptamine receptor 2A | 1 |
| 11334570 | 10.1021/jm0004998 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine