Compound Detail
CHEMBL5990491
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Basic Information
| ChEMBL ID | CHEMBL5990491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGBSETBXUKRGJF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
3.15
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.24 | 7.24 | 57.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.18 | 7.18 | 66.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 57.9 | nM | 7.24 | Receptor Binding Assay: 5-HT1A: (1) The prepared membrane was applied with appro... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 66.2 | nM | 7.18 | Receptor Binding Assay: 5-HT2A:(1) The prepared membrane was applied with buffer... | - |
| D(2) dopamine receptor | Ki | = | 500.0 | nM | 6.3 | Receptor Binding Assay: D2:Procedures(1) The prepared membrane was applied with ... | - |
Data from ChEMBL 36 via Core Engine