Compound Detail
CHEMBL3936595
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Basic Information
| ChEMBL ID | CHEMBL3936595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYHRHHHLNLGIRG-SFHVURJKSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
1.75
ALogP
5
HBA
0
HBD
54.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL2574 | Ki | 6.74 | 6.74 | 182.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL5377 | Ki | 5.45 | 5.45 | 3545.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL2583 | Ki | 5.12 | 5.12 | 7641.0 | 1 |
| D(3) dopamine receptor CHEMBL3441 | Ki | 5.08 | 5.08 | 8359.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL3737 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 182.0 | nM | 6.74 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 3545.0 | nM | 5.45 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 7641.0 | nM | 5.12 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| D(3) dopamine receptor | Ki | = | 8359.0 | nM | 5.08 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 10000.0 | nM | 5.0 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
Data from ChEMBL 36 via Core Engine