Compound Detail
CHEMBL11170
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Basic Information
| ChEMBL ID | CHEMBL11170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASEDQXVCNPLEIO-UKRRQHHQSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.67
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.96
Kd 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.96 | 7.5325 | 11.0 | 4 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Kd | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 11.0 | nM | 7.96 | Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor s... | 8097538 |
| 5-hydroxytryptamine receptor 1A | Kd | = | 39.81 | nM | 7.4 | Binding affinity to 5HT1A receptor | 19754201 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 41.0 | nM | 7.39 | Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocam... | 7731016 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 41.0 | nM | 7.39 | Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus... | 8496900 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 41.0 | nM | 7.39 | Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor s... | 8097538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8097538 | 10.1021/jm00060a015 | Mus musculus | 33 |
| 8097538 | 10.1021/jm00060a015 | Rattus norvegicus | 7 |
| 8097538 | 10.1021/jm00060a015 | Felis catus | 3 |
| 8097538 | 10.1021/jm00060a015 | 5-hydroxytryptamine receptor 1A | 2 |
| 8097538 | 10.1021/jm00060a015 | D(2) dopamine receptor | 2 |
| 8097538 | 10.1021/jm00060a015 | Sodium-dependent dopamine transporter | 2 |
| 7731016 | 10.1021/jm00008a008 | 5-hydroxytryptamine receptor 1A | 1 |
| 8496900 | 10.1021/jm00062a001 | 5-hydroxytryptamine receptor 1A | 1 |
| 8496900 | 10.1021/jm00062a001 | D(2) dopamine receptor | 1 |
| 8496900 | 10.1021/jm00062a001 | Unchecked | 1 |
| 19754201 | 10.1021/jm901096y | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine