Compound Detail
CHEMBL3942898
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Basic Information
| ChEMBL ID | CHEMBL3942898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTXIZQIIOLWLRO-FQEVSTJZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
2.97
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL5377 | Ki | 6.43 | 6.43 | 374.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL3006 | Ki | 5.96 | 5.96 | 1108.0 | 1 |
| D(4) dopamine receptor CHEMBL2574 | Ki | 5.41 | 5.41 | 3926.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 374.0 | nM | 6.43 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| 5-hydroxytryptamine receptor 2C | Ki | = | 1108.0 | nM | 5.96 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| D(4) dopamine receptor | Ki | = | 3926.0 | nM | 5.41 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
Data from ChEMBL 36 via Core Engine