Compound Detail
CHEMBL205671
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Basic Information
| ChEMBL ID | CHEMBL205671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMAOSTACJJXCJE-PSASIEDQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
0.81
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.98 | 6.98 | 104.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.36 | 6.36 | 440.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.29 | 6.29 | 511.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 104.0 | nM | 6.98 | Displacement of [3H]5HT from human recombinant 5HT2C receptor expressed in CHO c... | 16361098 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 440.0 | nM | 6.36 | Displacement of [3H]5HT from human recombinant 5HT2B receptor expressed in CHO c... | 16361098 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 511.0 | nM | 6.29 | Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in CHO... | 16361098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 2C | 2 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 2A | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine