Compound Detail
CHEMBL5961371
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Basic Information
| ChEMBL ID | CHEMBL5961371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMZMJFOIQLHTBI-IYARVYRRSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
4.26
ALogP
6
HBA
1
HBD
57.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.74 | 8.74 | 1.8 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.58 | 8.49 | 2.6 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.49 | 8.49 | 3.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1.81 | nM | 8.74 | Dopamine D3 Receptor Binding Test: The experiment is carried out by the method a... | - |
| Unchecked | Ki | = | 1.81 | nM | 8.74 | Dopamine D3 Receptor Binding Test: The experiment is carried out by the method a... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.28 | nM | 8.64 | 5-HT2A Receptor Binding Test: 1. Experimental Materials(1) 5-HT2A Cell Transfect... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.64 | nM | 8.58 | 5-HT1A Receptor Binding Test: 1. Experimental Materials:The isotopic ligand of 5... | - |
| D(2) dopamine receptor | Ki | = | 3.26 | nM | 8.49 | Receptor Binding Test: 1. Experimental Materials:(1) D2 receptor Cell Transfecti... | - |
| D(2) dopamine receptor | Ki | = | 3.26 | nM | 8.49 | Receptor Binding Test: 1. Experimental Materials:(1) D2 receptor Cell Transfecti... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.95 | nM | 8.4 | 5-HT1A Receptor Binding Test: 1. Experimental Materials:The isotopic ligand of 5... | - |
Data from ChEMBL 36 via Core Engine