Compound Detail
CHEMBL5986307
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 | CHEMBL5986307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPWSJANDNDDRMB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
4.34
ALogP
3
HBA
1
HBD
38.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 10.05 | 10.05 | 0.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.67 | 8.67 | 2.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.69 | 7.69 | 20.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.09 | nM | 10.05 | Dopamine D3 Receptor Binding Test: The experiment is carried out by the method a... | - |
| D(2) dopamine receptor | Ki | = | 0.78 | nM | 9.11 | Receptor Binding Test: 1. Experimental Materials:(1) D2 receptor Cell Transfecti... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.16 | nM | 8.67 | 5-HT1A Receptor Binding Test: 1. Experimental Materials:The isotopic ligand of 5... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 20.5 | nM | 7.69 | 5-HT2A Receptor Binding Test: 1. Experimental Materials(1) 5-HT2A Cell Transfect... | - |
Data from ChEMBL 36 via Core Engine