Compound Detail
CHEMBL5404610
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Basic Information
| ChEMBL ID | CHEMBL5404610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKEOXJWUZOSTIZ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
213.3
MW (Da)
1.95
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.42 | 7.415 | 38.0 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.28 | 7.28 | 52.5 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.49 | 6.49 | 323.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 38.0 | nM | 7.42 | Agonist activity at human 5-HT2C receptor expressed in CHO cells measured after ... | 38352850 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 38.9 | nM | 7.41 | Agonist activity at human 5-HT2C receptor expressed in CHO cells measured after ... | 38352850 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 53.0 | nM | 7.28 | Agonist activity at human 5-HT2B receptor expressed in Flp-In-T-REx-293 cells me... | 38352850 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 52.48 | nM | 7.28 | Agonist activity at human 5-HT2B receptor expressed in Flp-In-T-REx-293 cells me... | 38352850 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 326.0 | nM | 6.49 | Agonist activity at human 5-HT2A receptor expressed in CHO cells measured after ... | 38352850 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 323.59 | nM | 6.49 | Agonist activity at human 5-HT2A receptor expressed in CHO cells measured after ... | 38352850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38352850 | 10.1021/acsmedchemlett.3c00566 | 5-hydroxytryptamine receptor 2A | 3 |
| 38352850 | 10.1021/acsmedchemlett.3c00566 | 5-hydroxytryptamine receptor 2B | 3 |
| 38352850 | 10.1021/acsmedchemlett.3c00566 | 5-hydroxytryptamine receptor 2C | 3 |
Data from ChEMBL 36 via Core Engine