Compound Detail
CHEMBL220211
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Basic Information
| ChEMBL ID | CHEMBL220211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCBSTVSERURFTA-JTQLQIEISA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
1.81
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.96
Ki 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 6.76 | 6.76 | 175.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.54 | 6.54 | 289.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.96 | 5.96 | 1090.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 11.0 | nM | 7.96 | Activity at human 5HT2C expressed in HEK293E cells assessed as elevation of intr... | 17315987 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 40.0 | nM | 7.4 | Displacement of [125I]DOI from human recombinant 5HT2C expressed in HEK293E cell... | 17315987 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 175.0 | nM | 6.76 | Activity at human 5HT2B expressed in HEK293E cells assessed as elevation of intr... | 17315987 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 289.0 | nM | 6.54 | Activity at human 5HT2A expressed in HEK293E cells assessed as elevation of intr... | 17315987 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 1090.0 | nM | 5.96 | Displacement of [3H]LSD from human recombinant 5HT2B expressed in HEK293E cells | 17315987 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1400.0 | nM | 5.85 | Displacement of [125I]DOI from human recombinant 5HT2A expressed in HEK293E cell... | 17315987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17315987 | 10.1021/jm0612968 | 5-hydroxytryptamine receptor 2C | 3 |
| 17315987 | 10.1021/jm0612968 | 5-hydroxytryptamine receptor 2A | 3 |
| 17315987 | 10.1021/jm0612968 | 5-hydroxytryptamine receptor 2B | 3 |
Data from ChEMBL 36 via Core Engine