Compound Detail
CHEMBL5958700
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Basic Information
| ChEMBL ID | CHEMBL5958700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGGKHEHGJTUIOP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
3.93
ALogP
6
HBA
0
HBD
50.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.24 | 8.24 | 5.8 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.13 | 8.13 | 7.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.91 | 7.91 | 12.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.61 | 7.61 | 24.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 5.8 | nM | 8.24 | Receptor Binding Assay: 5-HT2A:(1) The prepared membrane was applied with buffer... | - |
| 5-hydroxytryptamine receptor 7 | Ki | = | 7.4 | nM | 8.13 | Receptor Binding Assay: 5-HT7: (1) The prepared membrane was applied with buffer... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 12.2 | nM | 7.91 | Receptor Binding Assay: 5-HT1A: (1) The prepared membrane was applied with appro... | - |
| D(2) dopamine receptor | Ki | = | 24.8 | nM | 7.61 | Receptor Binding Assay: D2:Procedures(1) The prepared membrane was applied with ... | - |
Data from ChEMBL 36 via Core Engine