Compound Detail
CHEMBL4111349
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Basic Information
| ChEMBL ID | CHEMBL4111349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEESQZOHNMFSPW-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
2.53
ALogP
5
HBA
0
HBD
37.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL2583 | Ki | 6.1 | 6.1 | 788.0 | 1 |
| D(4) dopamine receptor CHEMBL2574 | Ki | 5.71 | 5.71 | 1931.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 788.0 | nM | 6.1 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| D(4) dopamine receptor | Ki | = | 1931.0 | nM | 5.71 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
Data from ChEMBL 36 via Core Engine