Compound Detail
CHEMBL349409
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Basic Information
| ChEMBL ID | CHEMBL349409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KELVYHRCPWEBTF-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
2.59
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.94 | 6.94 | 114.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 114.5 | nM | 6.94 | 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 | 9 |
| 2522991 | 10.1021/jm00124a009 | Rattus norvegicus | 3 |
| 2522991 | 10.1021/jm00124a009 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine