Compound Detail
CHEMBL5201903
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Basic Information
| ChEMBL ID | CHEMBL5201903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNMSWUFXEOYHMY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5222595 |
| Active Moiety | CHEMBL5222595 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.2
MW (Da)
4.42
ALogP
2
HBA
3
HBD
48.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.61 | 7.605 | 24.6 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.33 | 7.33 | 46.8 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 7.29 | 7.285 | 51.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | EC50 | = | 24.55 | nM | 7.61 | Agonist activity at human 5HT2B receptor stably expressed in Flp-In-T-REx-293 ce... | 35450369 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 25.0 | nM | 7.6 | Agonist activity at human 5HT2B receptor stably expressed in Flp-In-T-REx-293 ce... | 35450369 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 47.0 | nM | 7.33 | Agonist activity at human 5HT2C receptor stably expressed in Flp-In-T-REx-293 ce... | 35450369 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 46.77 | nM | 7.33 | Agonist activity at human 5HT2C receptor stably expressed in Flp-In-T-REx-293 ce... | 35450369 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 51.29 | nM | 7.29 | Agonist activity at human 5HT2A receptor stably expressed in Flp-In-T-REx-293 ce... | 35450369 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 52.0 | nM | 7.28 | Agonist activity at human 5HT2A receptor stably expressed in Flp-In-T-REx-293 ce... | 35450369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35450369 | 10.1021/acsmedchemlett.1c00694 | 5-hydroxytryptamine receptor 2A | 3 |
| 35450369 | 10.1021/acsmedchemlett.1c00694 | 5-hydroxytryptamine receptor 2C | 3 |
| 35450369 | 10.1021/acsmedchemlett.1c00694 | 5-hydroxytryptamine receptor 2B | 3 |
| 35450369 | 10.1021/acsmedchemlett.1c00694 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine