Compound Detail
CHEMBL141600
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Basic Information
| ChEMBL ID | CHEMBL141600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTEKLQYQDYLCLO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.85
ALogP
4
HBA
0
HBD
36.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.66 | 7.66 | 21.9 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.47 | 5.47 | 3388.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 21.88 | nM | 7.66 | Inhibitory constant on 5-hydroxytryptamine 2A receptor of Rat frontal cortex | 11754579 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 21.88 | nM | 7.66 | In vitro affinity against serotonin ( 5-hydroxytryptamine 2A receptor ) receptor | 11101359 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 3388.44 | nM | 5.47 | In vitro affinity against serotonin (5-hydroxytryptamine 2C) receptor | 11101359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2A | 2 |
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2B | 1 |
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2C | 1 |
| 11754579 | 10.1021/jm011014y | Serotonin receptor 2a and 2b (5HT2A and 5HT2B) | 1 |
| 11754579 | 10.1021/jm011014y | Serotonin receptor 2a and 2c (5HT2A and 5HT2C) | 1 |
| 11101359 | 10.1021/jm0009890 | 5-hydroxytryptamine receptor 2A | 1 |
| 11101359 | 10.1021/jm0009890 | 5-hydroxytryptamine receptor 2C | 1 |
| 11101359 | 10.1021/jm0009890 | D(1A) dopamine receptor | 1 |
| 11101359 | 10.1021/jm0009890 | D(2) dopamine receptor | 1 |
| 11101359 | 10.1021/jm0009890 | Unchecked | 1 |
| 11101359 | 10.1021/jm0009890 | 5-hydroxytryptamine receptor 2B | 1 |
| 11101359 | 10.1021/jm0009890 | Dopamine D2 receptor and serotonin 2a receptor | 1 |
Data from ChEMBL 36 via Core Engine