Compound Detail
CHEMBL429689
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Basic Information
| ChEMBL ID | CHEMBL429689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IURJRYKQHTZROT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
199.7
MW (Da)
2.17
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.37 | 7.37 | 43.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 43.0 | nM | 7.37 | Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells | 18083579 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 130.0 | nM | 6.89 | Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells | 18083579 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 410.0 | nM | 6.39 | Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cell... | 18083579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18083579 | 10.1016/j.bmc.2007.12.009 | 5-hydroxytryptamine receptor 2C | 2 |
| 18083579 | 10.1016/j.bmc.2007.12.009 | 5-hydroxytryptamine receptor 2A | 2 |
| 18083579 | 10.1016/j.bmc.2007.12.009 | 5-hydroxytryptamine receptor 2B | 1 |
| 18083579 | 10.1016/j.bmc.2007.12.009 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 18083579 | 10.1016/j.bmc.2007.12.009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine