Compound Detail
CHEMBL423987
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Basic Information
| ChEMBL ID | CHEMBL423987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYSODJPJTHIXAV-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
4.15
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.33 | 7.33 | 46.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 46.2 | nM | 7.33 | Concentration of compound required to inhibit cortical 5-hydroxytryptamine 1A re... | 2522991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2522991 | 10.1021/jm00124a009 | Tryptophan 5-hydroxylase 1 | 7 |
| 2522991 | 10.1021/jm00124a009 | Rattus norvegicus | 3 |
| 2522991 | 10.1021/jm00124a009 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine