Compound Detail
CHEMBL5977489
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5977489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYERWDPVNLQROR-DKXQDJALSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.7
MW (Da)
5.29
ALogP
6
HBA
1
HBD
57.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.12 | 9.12 | 0.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 9.01 | 9.01 | 1.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 8.99 | 8.99 | 1.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.67 | 8.67 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.76 | nM | 9.12 | 5-HT2A Receptor Binding Test: 1. Experimental Materials(1) 5-HT2A Cell Transfect... | - |
| D(2) dopamine receptor | Ki | = | 0.98 | nM | 9.01 | Receptor Binding Test: 1. Experimental Materials:(1) D2 receptor Cell Transfecti... | - |
| D(2) dopamine receptor | Ki | = | 0.98 | nM | 9.01 | Receptor Binding Test: 1. Experimental Materials:(1) D2 receptor Cell Transfecti... | - |
| Unchecked | Ki | = | 1.03 | nM | 8.99 | Dopamine D3 Receptor Binding Test: The experiment is carried out by the method a... | - |
| Unchecked | Ki | = | 1.03 | nM | 8.99 | Dopamine D3 Receptor Binding Test: The experiment is carried out by the method a... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.14 | nM | 8.67 | 5-HT1A Receptor Binding Test: 1. Experimental Materials:The isotopic ligand of 5... | - |
Data from ChEMBL 36 via Core Engine