Compound Detail
CHEMBL201019
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Basic Information
| ChEMBL ID | CHEMBL201019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDTWANUYGDJQMC-NHYWBVRUSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
337.9
MW (Da)
2.54
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.71
IC50 1 meas. best 5.28
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | EC50 | 6.71 | 6.71 | 195.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 25.0 | nM | 7.6 | Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat | 16451077 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 195.0 | nM | 6.71 | Agonism at 5HT4 receptor in rat tunica muscularis mucosa | 16451077 |
| D(2) dopamine receptor | IC50 | = | 5300.0 | nM | 5.28 | Binding affinity to dopamine receptor D2 | 16451077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451077 | 10.1021/jm0509501 | Serotonin 3 receptor (5HT3) | 2 |
| 16451077 | 10.1021/jm0509501 | Serotonin 3 (5-HT3) receptor | 1 |
| 16451077 | 10.1021/jm0509501 | 5-hydroxytryptamine receptor 4 | 1 |
| 16451077 | 10.1021/jm0509501 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine