Compound Detail
CHEMBL142936
DIETHYLTRYPTAMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL142936 |
| Name | DIETHYLTRYPTAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSSUMOWDTKZHHT-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
216.3
MW (Da)
3.05
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.33
EC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.98 | 6.98 | 104.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.88 | 6.88 | 133.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.24 | 6.24 | 575.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | EC50 | 5.27 | 5.27 | 5370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 47.0 | nM | 7.33 | Evaluated for the binding constant at [3H]8-OH-DPAT-labeled human 5-hydroxytrypt... | 11101361 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 104.0 | nM | 6.98 | Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine... | 11101361 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 133.0 | nM | 6.88 | Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine... | 11101361 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 575.0 | nM | 6.24 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells | 16945532 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 680.0 | nM | 6.17 | EC50 for inhibition of 50 uM forskolin-stimulated cAMP accumulation against 5-hy... | 11101361 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 5370.0 | nM | 5.27 | Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytry... | 11101361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11101361 | 10.1021/jm000339w | 5-hydroxytryptamine receptor 2A | 3 |
| 11101361 | 10.1021/jm000339w | 5-hydroxytryptamine receptor 1A | 2 |
| 11101361 | 10.1021/jm000339w | Rattus norvegicus | 1 |
| 11101361 | 10.1021/jm000339w | 5-hydroxytryptamine receptor 2C | 1 |
| 16945532 | 10.1016/j.bmcl.2006.08.068 | 5-hydroxytryptamine receptor 6 | 1 |
| 21524588 | 10.1016/j.bmc.2011.04.004 | Unchecked | 1 |
| 21524588 | 10.1016/j.bmc.2011.04.004 | Hepatitis B virus | 1 |
| 21524588 | 10.1016/j.bmc.2011.04.004 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine