Compound Detail
CHEMBL383042
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Basic Information
| ChEMBL ID | CHEMBL383042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYFDJULDEBKKKE-INIZCTEOSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
4.38
ALogP
4
HBA
1
HBD
39.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.78
EC50 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.78 | 6.78 | 168.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 6.33 | 6.33 | 462.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.26 | 6.26 | 551.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.05 | 6.05 | 883.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.8 | 5.8 | 1568.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 168.0 | nM | 6.78 | Displacement of [3H]5-HT from human 5HT2C | 16257207 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 462.0 | nM | 6.33 | Binding to human 5HT2B receptor expressed in CHO cells | 16257207 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 551.0 | nM | 6.26 | Binding to human 5HT2C receptor expressed in CHO cells | 16257207 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 883.0 | nM | 6.05 | Displacement of [3H]5-HT from human 5HT2B | 16257207 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1568.0 | nM | 5.8 | Displacement of [125I]DOI from human 5HT2A | 16257207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16257207 | 10.1016/j.bmcl.2005.10.029 | 5-hydroxytryptamine receptor 2B | 3 |
| 16257207 | 10.1016/j.bmcl.2005.10.029 | 5-hydroxytryptamine receptor 2A | 3 |
| 16257207 | 10.1016/j.bmcl.2005.10.029 | 5-hydroxytryptamine receptor 2C | 3 |
Data from ChEMBL 36 via Core Engine