Compound Detail
CHEMBL3652593
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Basic Information
| ChEMBL ID | CHEMBL3652593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJRLWVGNHAAAMD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
1.66
ALogP
7
HBA
2
HBD
108.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.04 | 7.04 | 91.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 91.0 | nM | 7.04 | Radioligand Binding Assays : Radioligand binding assays for human 5-HT2A recepto... | - |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 91.0 | nM | 7.04 | Radioligand Binding Assays : Radioligand binding assays for human 5-HT2A recepto... | - |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 91.0 | nM | 7.04 | Radioligand Binding Assay: Radioligand binding assays for human 5-HT2A receptor ... | - |
Data from ChEMBL 36 via Core Engine