Compound Detail
CHEMBL5439312
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Basic Information
| ChEMBL ID | CHEMBL5439312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPSSYKFYAHONTK-RJSZUWSASA-N |
| Parent Compound | CHEMBL5405688 |
| Active Moiety | CHEMBL5405688 |
3
Targets
6
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
1.68
ALogP
3
HBA
1
HBD
41.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 6.72 | 6.72 | 189.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.62 | 6.62 | 239.9 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 5.49 | 5.49 | 3228.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.7 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | EC50 | = | 189.0 | nM | 6.72 | Agonist activity at human 5-HT2B receptor expressed in Flp-In-T-REx-293 cells me... | 38352850 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 190.55 | nM | 6.72 | Agonist activity at human 5-HT2B receptor expressed in Flp-In-T-REx-293 cells me... | 38352850 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 240.0 | nM | 6.62 | Agonist activity at human 5-HT2C receptor expressed in CHO cells measured after ... | 38352850 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 239.88 | nM | 6.62 | Agonist activity at human 5-HT2C receptor expressed in CHO cells measured after ... | 38352850 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 3228.0 | nM | 5.49 | Agonist activity at human 5-HT2A receptor expressed in CHO cells measured after ... | 38352850 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 3235.94 | nM | 5.49 | 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 |
| 38352850 | 10.1021/acsmedchemlett.3c00566 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine