Compound Detail
CHEMBL5887835
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Basic Information
| ChEMBL ID | CHEMBL5887835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTWJJKFHLIDCOK-CYBMUJFWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
1.76
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.66 | 7.66 | 22.1 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.45 | 7.45 | 35.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 2.5 | nM | 8.6 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 22.1 | nM | 7.66 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 35.4 | nM | 7.45 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
Data from ChEMBL 36 via Core Engine