Compound Detail
CHEMBL4112056
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Basic Information
| ChEMBL ID | CHEMBL4112056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APCQYPHUPXTFSO-LJQANCHMSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.9
MW (Da)
3.01
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL3737 | Ki | 6.42 | 6.42 | 384.0 | 1 |
| D(4) dopamine receptor CHEMBL2574 | Ki | 6.27 | 6.27 | 536.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL5377 | Ki | 5.68 | 5.68 | 2066.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL2583 | Ki | 5.63 | 5.63 | 2358.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 384.0 | nM | 6.42 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| D(4) dopamine receptor | Ki | = | 536.0 | nM | 6.27 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2066.0 | nM | 5.68 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 2358.0 | nM | 5.63 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
Data from ChEMBL 36 via Core Engine