Compound Detail
CHEMBL5566866
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Basic Information
| ChEMBL ID | CHEMBL5566866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKUYTGHKUYHKDO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6070491 |
| Active Moiety | CHEMBL6070491 |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
1.82
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.21
Ki 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 8.21 | 8.21 | 6.1 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.44 | 7.44 | 36.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | EC50 | = | 6.1 | nM | 8.21 | Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as ... | 38593423 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 6.166 | nM | 8.21 | Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as ... | 38593423 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 36.0 | nM | 7.44 | Displacement of [3H]LSD from human 5-HT2A receptor expressed in HEK293 cell memb... | 38593423 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 36.31 | nM | 7.44 | Displacement of [3H]LSD from human 5-HT2A receptor expressed in HEK293 cell memb... | 38593423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38593423 | 10.1021/acs.jmedchem.3c01961 | 5-hydroxytryptamine receptor 2A | 5 |
Data from ChEMBL 36 via Core Engine