Compound Detail
CHEMBL5201470
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5201470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXYJMCLXSJHKBZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5222574 |
| Active Moiety | CHEMBL5222574 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
2.95
ALogP
3
HBA
4
HBD
68.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.6 | 7.6 | 25.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.38 | 7.38 | 41.7 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 7.14 | 7.14 | 72.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 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 2B | EC50 | = | 25.12 | nM | 7.6 | Agonist activity at human 5HT2B receptor stably expressed in Flp-In-T-REx-293 ce... | 35450369 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 42.0 | nM | 7.38 | Agonist activity at human 5HT2C receptor stably expressed in Flp-In-T-REx-293 ce... | 35450369 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 41.69 | nM | 7.38 | Agonist activity at human 5HT2C receptor stably expressed in Flp-In-T-REx-293 ce... | 35450369 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 72.0 | nM | 7.14 | Agonist activity at human 5HT2A receptor stably expressed in Flp-In-T-REx-293 ce... | 35450369 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 72.44 | nM | 7.14 | 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