Compound Detail
CHEMBL480127
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Basic Information
| ChEMBL ID | CHEMBL480127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICOOFOPJNLACRM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
4.62
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | IC50 | = | 4.5 | nM | 8.35 | Displacement of [3H]mesulergine at human cloned 5HT2C receptor expressed in CHOK... | 18602261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18602261 | 10.1016/j.bmcl.2008.06.064 | Unchecked | 6 |
| 18602261 | 10.1016/j.bmcl.2008.06.064 | 5-hydroxytryptamine receptor 2C | 1 |
| 18602261 | 10.1016/j.bmcl.2008.06.064 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 18602261 | 10.1016/j.bmcl.2008.06.064 | D(4) dopamine receptor | 1 |
| 18602261 | 10.1016/j.bmcl.2008.06.064 | D(3) dopamine receptor | 1 |
| 18602261 | 10.1016/j.bmcl.2008.06.064 | D(2) dopamine receptor | 1 |
| 18602261 | 10.1016/j.bmcl.2008.06.064 | 5-hydroxytryptamine receptor 7 | 1 |
| 18602261 | 10.1016/j.bmcl.2008.06.064 | 5-hydroxytryptamine receptor 6 | 1 |
| 18602261 | 10.1016/j.bmcl.2008.06.064 | 5-hydroxytryptamine receptor 2A | 1 |
| 18602261 | 10.1016/j.bmcl.2008.06.064 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine