Compound Detail
CHEMBL223440
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Basic Information
| ChEMBL ID | CHEMBL223440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMMIJLPGZMHLGI-NSHDSACASA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
250.7
MW (Da)
2.00
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.91
EC50 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.31 | 7.31 | 49.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.91 | 6.91 | 124.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.61 | 6.61 | 248.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.3 | 5.3 | 4960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 49.0 | nM | 7.31 | Activity at human 5HT2C expressed in HEK293E cells assessed as elevation of intr... | 17315987 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 124.0 | nM | 6.91 | Displacement of [125I]DOI from human recombinant 5HT2C expressed in HEK293E cell... | 17315987 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 248.0 | nM | 6.61 | Displacement of [3H]LSD from human recombinant 5HT2B expressed in HEK293E cells | 17315987 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 4960.0 | nM | 5.3 | 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 2A | 3 |
| 17315987 | 10.1021/jm0612968 | 5-hydroxytryptamine receptor 2B | 3 |
| 17315987 | 10.1021/jm0612968 | 5-hydroxytryptamine receptor 2C | 3 |
| 17315987 | 10.1021/jm0612968 | Serotonin receptor (2b and 2c) | 1 |
| 17315987 | 10.1021/jm0612968 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine