Compound Detail
CHEMBL3900699
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Basic Information
| ChEMBL ID | CHEMBL3900699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJWABLDVLWKPKR-FQEVSTJZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
2.36
ALogP
5
HBA
0
HBD
51.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL3737 | Ki | 6.43 | 6.43 | 371.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL2583 | Ki | 5.78 | 5.78 | 1654.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL5377 | Ki | 5.71 | 5.71 | 1945.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3708691 | Ki | 5.32 | 5.32 | 4827.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 371.0 | nM | 6.43 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 1654.0 | nM | 5.78 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1945.0 | nM | 5.71 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
| 5-hydroxytryptamine receptor 1B | Ki | = | 4827.0 | nM | 5.32 | Radioligand Binding Assay: The detailed experimental protocols for the radioliga... | - |
Data from ChEMBL 36 via Core Engine