Compound Detail
CHEMBL6065165
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Basic Information
| ChEMBL ID | CHEMBL6065165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJKBMWIJPUSQGX-QAQDUYKDSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
3.72
ALogP
6
HBA
1
HBD
57.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 10.0 | 10.0 | 0.1 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.94 | 8.69 | 1.1 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.94 | 8.94 | 1.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.93 | 8.93 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.1 | nM | 10.0 | Dopamine D3 Receptor Binding Test: The experiment is carried out by the method a... | - |
| Unchecked | Ki | = | 0.1 | nM | 10.0 | Dopamine D3 Receptor Binding Test: The experiment is carried out by the method a... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.14 | nM | 8.94 | 5-HT1A Receptor Binding Test: 1. Experimental Materials:The isotopic ligand of 5... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1.16 | nM | 8.94 | 5-HT2A Receptor Binding Test: 1. Experimental Materials(1) 5-HT2A Cell Transfect... | - |
| D(2) dopamine receptor | Ki | = | 1.18 | nM | 8.93 | Receptor Binding Test: 1. Experimental Materials:(1) D2 receptor Cell Transfecti... | - |
| D(2) dopamine receptor | Ki | = | 1.18 | nM | 8.93 | Receptor Binding Test: 1. Experimental Materials:(1) D2 receptor Cell Transfecti... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.65 | nM | 8.44 | 5-HT1A Receptor Binding Test: 1. Experimental Materials:The isotopic ligand of 5... | - |
Data from ChEMBL 36 via Core Engine