Compound Detail
CHEMBL3092753
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Basic Information
| ChEMBL ID | CHEMBL3092753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGQLNLNSOMKVOD-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
1.67
ALogP
1
HBA
2
HBD
81.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.74
IC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.91 | 7.91 | 12.4 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 7.44 | 7.44 | 36.4 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 6.1 | 6.1 | 790.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 1.8 | nM | 8.74 | Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 c... | 24189186 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 12.4 | nM | 7.91 | Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells by liq... | 24189186 |
| 5-hydroxytryptamine receptor 2B | IC50 | = | 36.4 | nM | 7.44 | Antagonist activity at human 5-HT2B receptor expressed in HEK293 cells coexpress... | 24189186 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 200.0 | nM | 6.7 | Binding affinity to 5-HT2C receptor (unknown origin) | 24189186 |
| Adrenergic receptor alpha-1 | Ki | = | 790.0 | nM | 6.1 | Binding affinity to adrenergic alpha1 receptor (unknown origin) | 24189186 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1000.0 | nM | 6.0 | Binding affinity to 5-HT2A receptor (unknown origin) | 24189186 |
| D(2) dopamine receptor | Ki | = | 1400.0 | nM | 5.85 | Binding affinity to dopamine D2 receptor (unknown origin) | 24189186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24189186 | 10.1016/j.bmc.2013.10.010 | 5-hydroxytryptamine receptor 7 | 2 |
| 24189186 | 10.1016/j.bmc.2013.10.010 | 5-hydroxytryptamine receptor 2B | 2 |
| 24189186 | 10.1016/j.bmc.2013.10.010 | Muscarinic acetylcholine receptor M1 | 1 |
| 24189186 | 10.1016/j.bmc.2013.10.010 | D(2) dopamine receptor | 1 |
| 24189186 | 10.1016/j.bmc.2013.10.010 | Adrenergic receptor alpha-1 | 1 |
| 24189186 | 10.1016/j.bmc.2013.10.010 | 5-hydroxytryptamine receptor 2C | 1 |
| 24189186 | 10.1016/j.bmc.2013.10.010 | 5-hydroxytryptamine receptor 2A | 1 |
| 24189186 | 10.1016/j.bmc.2013.10.010 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine