Compound Detail
CHEMBL203013
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Basic Information
| ChEMBL ID | CHEMBL203013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJRLAJVWAFFRLV-IAQYHMDHSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
1.73
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.44
EC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.44 | 8.42 | 3.6 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.13 | 7.13 | 74.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.76 | 6.76 | 174.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 3.6 | nM | 8.44 | Displacement of [3H]5HT from human recombinant 5HT2C receptor expressed in CHO c... | 16361098 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 4.0 | nM | 8.4 | Binding affinity to 5-HT2C receptor | 19464901 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 15.0 | nM | 7.82 | Efficacy against human recombinant 5HT2C receptor induced intracellular calcium ... | 16361098 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 23.0 | nM | 7.64 | Efficacy against human recombinant 5HT2B receptor induced intracellular calcium ... | 16361098 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 74.0 | nM | 7.13 | Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in CHO... | 16361098 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 174.0 | nM | 6.76 | Displacement of [3H]5HT from human recombinant 5HT2B receptor expressed in CHO c... | 16361098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 2C | 4 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 2A | 4 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 2B | 3 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 7 | 1 |
| 19464901 | 10.1016/j.bmc.2009.05.003 | 5-hydroxytryptamine receptor 2C | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | Rattus norvegicus | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | Unchecked | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | Sodium-dependent dopamine transporter | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | Sodium-dependent noradrenaline transporter | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | Sodium-dependent serotonin transporter | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | Mu-type opioid receptor | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | Beta-1 adrenergic receptor | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | Adrenergic receptor alpha-1 | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 1D | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | Serotonin 3 (5-HT3) receptor | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | D(4) dopamine receptor | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 6 | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 5A | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 1B | 1 |
Data from ChEMBL 36 via Core Engine