Compound Detail
CHEMBL4751981
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Basic Information
| ChEMBL ID | CHEMBL4751981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEXUHNGZLUQIMG-SCYNACPDSA-N |
| Parent Compound | CHEMBL4802812 |
| Active Moiety | CHEMBL4802812 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
2.50
ALogP
3
HBA
1
HBD
48.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 8.8 | 8.795 | 1.6 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 7.43 | 7.43 | 37.0 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 6.96 | 6.96 | 109.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 1.6 | nM | 8.8 | Agonist activity at human 5-HT2C receptor expressed in human Flp-In-293 cells as... | 27726356 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 1.622 | nM | 8.79 | Agonist activity at human 5-HT2C receptor expressed in human Flp-In-293 cells as... | 27726356 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 37.15 | nM | 7.43 | Agonist activity at human 5-HT2A receptor expressed in human Flp-In-293 cells as... | 27726356 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 37.0 | nM | 7.43 | Agonist activity at human 5-HT2A receptor expressed in human Flp-In-293 cells as... | 27726356 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 109.65 | nM | 6.96 | Agonist activity at human 5-HT2B receptor expressed in human Flp-In-293 cells as... | 27726356 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 111.0 | nM | 6.96 | Agonist activity at human 5-HT2B receptor expressed in human Flp-In-293 cells as... | 27726356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27726356 | 10.1021/acs.jmedchem.6b01194 | 5-hydroxytryptamine receptor 2C | 4 |
| 27726356 | 10.1021/acs.jmedchem.6b01194 | 5-hydroxytryptamine receptor 2B | 4 |
| 27726356 | 10.1021/acs.jmedchem.6b01194 | 5-hydroxytryptamine receptor 2A | 4 |
Data from ChEMBL 36 via Core Engine