Compound Detail
CHEMBL307770
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Basic Information
| ChEMBL ID | CHEMBL307770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLZKGXPLDDUCQZ-NKWVEPMBSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
284.1
MW (Da)
2.21
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.41 | 5.41 | 3880.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.38 | 5.38 | 4190.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.07 | 5.07 | 8500.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 4.95 | 4.95 | 11200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 3880.0 | nM | 5.41 | Affinity at [3H]ketanserin-labeled 5-hydroxytryptamine 2A receptor in rat brain ... | 9622555 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 4190.0 | nM | 5.38 | Binding ability of compound at cloned human 5-hydroxytryptamine 2C receptor usin... | 9622555 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 8500.0 | nM | 5.07 | Binding ability of compound at cloned human 5-hydroxytryptamine 2A receptor usin... | 9622555 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 11200.0 | nM | 4.95 | Binding ability of compound at cloned human 5-hydroxytryptamine 2B receptor usin... | 9622555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9622555 | 10.1021/jm980076u | Rattus norvegicus | 12 |
| 9622555 | 10.1021/jm980076u | 5-hydroxytryptamine receptor 2A | 3 |
| 9622555 | 10.1021/jm980076u | 5-hydroxytryptamine receptor 2B | 2 |
| 9622555 | 10.1021/jm980076u | 5-hydroxytryptamine receptor 2C | 2 |
| 9622555 | 10.1021/jm980076u | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine