Compound Detail
CHEMBL4209052
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Basic Information
| ChEMBL ID | CHEMBL4209052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDUJNEUBVHIQQH-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
2.15
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.91
Ki 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.91 | 7.91 | 12.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.87 | 6.87 | 134.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.51 | 6.51 | 311.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 5.6 | 5.6 | 2510.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 5.4 | 5.4 | 4020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 7.9 | nM | 8.1 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 12.3 | nM | 7.91 | Agonist activity at recombinant 5-HT2C receptor (unknown origin) expressed in HE... | 30258529 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 134.0 | nM | 6.87 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 311.0 | nM | 6.51 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 2510.0 | nM | 5.6 | Agonist activity at recombinant 5-HT2A receptor (unknown origin) expressed in HE... | 30258529 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 4020.0 | nM | 5.4 | Agonist activity at recombinant 5-HT2B receptor (unknown origin) expressed in HE... | 30258529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30258529 | 10.1021/acsmedchemlett.8b00328 | 5-hydroxytryptamine receptor 2A | 1 |
| 30258529 | 10.1021/acsmedchemlett.8b00328 | 5-hydroxytryptamine receptor 2B | 1 |
| 30258529 | 10.1021/acsmedchemlett.8b00328 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine