Compound Detail
CHEMBL66335
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Basic Information
| ChEMBL ID | CHEMBL66335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYFSQPDQLFFBRA-RVZJWNSFSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.95
ALogP
2
HBA
2
HBD
48.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.7 | 8.7 | 2.0 | 2 |
| Serotonin receptor 2a and 2b (5HT2A and 5HT2B) CHEMBL2111398 | Ki | 8.58 | 8.58 | 2.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.06 | 8.06 | 8.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.01 | nM | 8.7 | Affinity in displacing [3H]8-OH-DPAT from rat hippocampal 5-HT1A receptor. | 1732537 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.0 | nM | 8.7 | Binding affinity was measured against 5-hydroxytryptamine 1A receptor by displac... | 7699712 |
| Serotonin receptor 2a and 2b (5HT2A and 5HT2B) | Ki | = | 2.63 | nM | 8.58 | Affinity in displacing [125I](R)-DOI from rat cortical homogenate 5-HT2 receptor... | 1732537 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 8.8 | nM | 8.06 | Binding affinity was measured against 5-hydroxytryptamine 2A receptor by displac... | 7699712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699712 | 10.1021/jm00006a015 | Rattus norvegicus | 12 |
| 1732537 | 10.1021/jm00080a001 | Rattus norvegicus | 7 |
| 1732537 | 10.1021/jm00080a001 | Serotonin receptor 2a and 2b (5HT2A and 5HT2B) | 1 |
| 1732537 | 10.1021/jm00080a001 | 5-hydroxytryptamine receptor 1A | 1 |
| 7699712 | 10.1021/jm00006a015 | 5-hydroxytryptamine receptor 2A | 1 |
| 7699712 | 10.1021/jm00006a015 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine