Compound Detail
CHEMBL69326
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Basic Information
| ChEMBL ID | CHEMBL69326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYSDRDDQELAVKP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
1.51
ALogP
6
HBA
2
HBD
74.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.54 | 8.54 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.9 | nM | 8.54 | Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor s... | 8340922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8340922 | 10.1021/jm00067a018 | Rattus norvegicus | 18 |
| 8340922 | 10.1021/jm00067a018 | Felis catus | 4 |
| 8340922 | 10.1021/jm00067a018 | Mus musculus | 2 |
| 8340922 | 10.1021/jm00067a018 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine