Compound Detail
CHEMBL1172812
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Basic Information
| ChEMBL ID | CHEMBL1172812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFIKNQMQZHORRL-DZYRLPQXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.38
ALogP
2
HBA
2
HBD
63.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 receptors; 5-HT2a & 5-HT2c CHEMBL2096662 | Ki | 10.48 | 10.48 | 0.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.76 | 6.76 | 173.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.28 | 5.28 | 5230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 receptors; 5-HT2a & 5-HT2c | Ki | = | 0.033 | nM | 10.48 | Selectivity ratio of Ki for human cloned 5HT2C receptor to Ki for human cloned 5... | 20570529 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 173.0 | nM | 6.76 | Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed i... | 20570529 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 5230.0 | nM | 5.28 | Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HE... | 20570529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20570529 | 10.1016/j.bmc.2010.05.017 | 5-hydroxytryptamine receptor 2C | 2 |
| 20570529 | 10.1016/j.bmc.2010.05.017 | 5-hydroxytryptamine receptor 2A | 2 |
| 20570529 | 10.1016/j.bmc.2010.05.017 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 20570529 | 10.1016/j.bmc.2010.05.017 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine