Compound Detail
CHEMBL5563475
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Basic Information
| ChEMBL ID | CHEMBL5563475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJZOWWULPBIOBQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6070208 |
| Active Moiety | CHEMBL6070208 |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.82
ALogP
4
HBA
1
HBD
44.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.39
Ki 2 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 7.39 | 7.385 | 41.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.35 | 7.35 | 44.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | EC50 | = | 41.0 | nM | 7.39 | Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as ... | 38593423 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 41.69 | nM | 7.38 | Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as ... | 38593423 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 45.0 | nM | 7.35 | Displacement of [3H]LSD from human 5-HT2A receptor expressed in HEK293 cell memb... | 38593423 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 44.67 | nM | 7.35 | 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