Compound Detail
CHEMBL370221
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Basic Information
| ChEMBL ID | CHEMBL370221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOWUCENJFGRMQC-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
204.3
MW (Da)
1.95
ALogP
3
HBA
1
HBD
28.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.06 | 6.98 | 87.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.3 | 6.3 | 498.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.91 | 5.91 | 1242.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 87.0 | nM | 7.06 | Inhibition constant against human 5-hydroxytryptamine 2C receptor [INI isoforms]... | 16061378 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 125.0 | nM | 6.9 | Inhibition constant against human 5-hydroxytryptamine 2C receptor [VGI isoforms]... | 16061378 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 498.0 | nM | 6.3 | Inhibition constant against human 5-hydroxytryptamine 2A receptor using [3H]keta... | 16061378 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 1242.0 | nM | 5.91 | Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]LSD ... | 16061378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16061378 | 10.1016/j.bmcl.2005.06.104 | 5-hydroxytryptamine receptor 2C | 3 |
| 16061378 | 10.1016/j.bmcl.2005.06.104 | 5-hydroxytryptamine receptor 2A | 2 |
| 16061378 | 10.1016/j.bmcl.2005.06.104 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine