Compound Detail
CHEMBL26687
MESCALINE Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL26687 |
| Name | MESCALINE |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | RHCSKNNOAZULRK-UHFFFAOYSA-N |
7
Targets
14
Activities
3
Assay Types
0
PK Parameters
20
Publications
4
Known Names
Molecular Properties
211.3
MW (Da)
1.21
ALogP
4
HBA
1
HBD
53.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 8 meas. best 6.52
EC50 4 meas. best 5.58
Kd 2 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.52 | 6.52 | 302.8 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.44 | 5.6533 | 360.0 | 3 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.42 | 6.42 | 380.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.26 | 6.26 | 551.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.1 | 6.1 | 795.1 | 1 |
| Serotonin (5-HT) receptor CHEMBL2094123 | Kd | 5.65 | 5.65 | 2238.7 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | EC50 | 5.58 | 5.31 | 2600.0 | 3 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | EC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301661 | 10.1021/jm970219x | 5-hydroxytryptamine receptor 2A | 4 |
| 9301661 | 10.1021/jm970219x | Rattus norvegicus | 3 |
| 16821786 | 10.1021/jm060272y | 5-hydroxytryptamine receptor 2A | 3 |
| 9301661 | 10.1021/jm970219x | 5-hydroxytryptamine receptor 2C | 3 |
| 18296055 | 10.1016/j.bmc.2008.02.033 | 5-hydroxytryptamine receptor 2A | 2 |
| 9301661 | 10.1021/jm970219x | 5-hydroxytryptamine receptor 2B | 2 |
| 2299636 | 10.1021/jm00164a036 | Homo sapiens | 2 |
| 7310812 | 10.1021/jm00143a017 | Monoamine oxidase | 2 |
| 836502 | 10.1021/jm00212a022 | No relevant target | 1 |
| 6094812 | 10.1021/jm00378a021 | ADMET | 1 |
| 16821786 | 10.1021/jm060272y | 5-hydroxytryptamine receptor 2C | 1 |
| 16821786 | 10.1021/jm060272y | Rattus norvegicus | 1 |
| 9748359 | 10.1021/jm980144c | Homo sapiens | 1 |
| 7310812 | 10.1021/jm00143a017 | Homo sapiens | 1 |
| 6737431 | 10.1021/jm00373a013 | Homo sapiens | 1 |
| 2299636 | 10.1021/jm00164a036 | Rattus norvegicus | 1 |
| 9301661 | 10.1021/jm970219x | No relevant target | 1 |
| 9301661 | 10.1021/jm970219x | 5-hydroxytryptamine receptor 1A | 1 |
| 7365744 | 10.1021/jm00177a017 | Serotonin (5-HT) receptor | 1 |
| 12877591 | 10.1021/jm030064v | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine