Compound Detail
CHEMBL463250
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Basic Information
| ChEMBL ID | CHEMBL463250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPOIHWRJVKWRCZ-ZFCMMHTMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
2.29
ALogP
2
HBA
1
HBD
51.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 1700.0 | nM | 5.77 | Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed i... | 11975483 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 3500.0 | nM | 5.46 | Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in af... | 11975483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11975483 | 10.1021/np010471e | 5-hydroxytryptamine receptor 2A | 1 |
| 11975483 | 10.1021/np010471e | 5-hydroxytryptamine receptor 2C | 1 |
| 11975483 | 10.1021/np010471e | Plasmodium falciparum | 1 |
| 11975483 | 10.1021/np010471e | Unchecked | 1 |
| 11975483 | 10.1021/np010471e | Vero | 1 |
Data from ChEMBL 36 via Core Engine