Compound Detail
CHEMBL41716
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Basic Information
| ChEMBL ID | CHEMBL41716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNKBVTBXFLSTPB-GFCCVEGCSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
3.51
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.21 | 7.52 | 6.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 6.1 | nM | 8.21 | Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) recepto... | 8831769 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 6.1 | nM | 8.21 | Binding affinity towards 5-hydroxytryptamine 1A receptor sites in cortical membr... | 2140413 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 730.0 | nM | 6.14 | Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor sites, ... | 2140413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831769 | 10.1021/jm960329o | 5-hydroxytryptamine receptor 1A | 6 |
| 2140413 | 10.1021/jm00168a002 | 5-hydroxytryptamine receptor 1A | 2 |
| 2140413 | 10.1021/jm00168a002 | Rattus norvegicus | 2 |
| 2140413 | 10.1021/jm00168a002 | Aromatic-L-amino-acid decarboxylase | 2 |
Data from ChEMBL 36 via Core Engine