Compound Detail
CHEMBL2442266
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Basic Information
| ChEMBL ID | CHEMBL2442266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPEDGFQBWJGPBU-IZZDOVSWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.2
MW (Da)
2.32
ALogP
2
HBA
2
HBD
60.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.11 | 6.11 | 774.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.63 | 5.63 | 2339.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 774.0 | nM | 6.11 | Displacement of [3H]LSD from human recombinant 5HT2B receptor stably expressed i... | 24084296 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 2339.0 | nM | 5.63 | Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed ... | 24084296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 1D | 1 |
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 1B | 1 |
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 2C | 1 |
| 24084296 | 10.1016/j.bmc.2013.09.011 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine