Compound Detail
CHEMBL6062608
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Basic Information
| ChEMBL ID | CHEMBL6062608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLBCSWQHJMLCPP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
4.55
ALogP
5
HBA
0
HBD
58.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.55 | 8.55 | 2.8 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.17 | 8.17 | 6.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.06 | 8.06 | 8.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.4 | nM | 8.62 | Receptor Binding Assay: 5-HT2A:(1) The prepared membrane was applied with buffer... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.8 | nM | 8.55 | Receptor Binding Assay: 5-HT1A: (1) The prepared membrane was applied with appro... | - |
| 5-hydroxytryptamine receptor 7 | Ki | = | 6.7 | nM | 8.17 | Receptor Binding Assay: 5-HT7: (1) The prepared membrane was applied with buffer... | - |
| D(2) dopamine receptor | Ki | = | 8.7 | nM | 8.06 | Receptor Binding Assay: D2:Procedures(1) The prepared membrane was applied with ... | - |
Data from ChEMBL 36 via Core Engine