Compound Detail
CHEMBL4228313
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Basic Information
| ChEMBL ID | CHEMBL4228313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMONSBKTGUYCFT-XMMPIXPASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
4.53
ALogP
6
HBA
1
HBD
99.9
PSA (Ų)
0.20
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.33 | 7.33 | 46.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 46.77 | nM | 7.33 | Antagonist activity at human recombinant 5-HT2A receptor expressed in CHOK1 cell... | 29555153 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 46.7 | nM | 7.33 | Antagonist activity at human recombinant 5-HT2A receptor expressed in CHOK1 cell... | 29555153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29555153 | 10.1016/j.bmcl.2018.02.058 | 5-hydroxytryptamine receptor 2A | 4 |
Data from ChEMBL 36 via Core Engine