Compound Detail
CHEMBL23530
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Basic Information
| ChEMBL ID | CHEMBL23530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGBUPWYWHUCNPK-WLHGVMLRSA-N |
| Parent Compound | CHEMBL1178367 |
| Active Moiety | CHEMBL1178367 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
3.10
ALogP
6
HBA
1
HBD
54.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.49 | 7.49 | 32.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 32.13 | nM | 7.49 | In vitro ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor ... | 7731013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7731013 | 10.1021/jm00008a005 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine