Compound Detail
CHEMBL4648350
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Basic Information
| ChEMBL ID | CHEMBL4648350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTJOWJUQGYWRHT-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
1.64
ALogP
2
HBA
3
HBD
48.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 8.62 | 8.345 | 2.4 | 4 |
| 5-hydroxytryptamine receptor 2A CHEMBL5377 | EC50 | 7.72 | 7.72 | 19.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | EC50 | = | 2.4 | nM | 8.62 | Agonist activity at human smBiT-fused 5HT2A receptor expressed in CHO-K1 cells c... | 38505858 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 2.512 | nM | 8.6 | Agonist activity at human smBiT-fused 5HT2A receptor expressed in CHO-K1 cells c... | 38505858 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 8.4 | nM | 8.08 | Agonist activity at human 5-HT2A receptor expressed in Flp-In T-REx 293 cells as... | 32077284 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 8.318 | nM | 8.08 | Agonist activity at human 5-HT2A receptor expressed in Flp-In T-REx 293 cells as... | 32077284 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 19.0 | nM | 7.72 | Agonist activity at mouse 5-HT2A receptor expressed in Flp-In T-REx 293 cells as... | 32077284 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 19.05 | nM | 7.72 | Agonist activity at mouse 5-HT2A receptor expressed in Flp-In T-REx 293 cells as... | 32077284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32077284 | 10.1021/acs.jnatprod.9b01061 | 5-hydroxytryptamine receptor 2A | 6 |
| 38505858 | 10.1021/acsmedchemlett.4c00058 | 5-hydroxytryptamine receptor 2A | 3 |
Data from ChEMBL 36 via Core Engine