Compound Detail
CHEMBL201414
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Basic Information
| ChEMBL ID | CHEMBL201414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLKYHAQZBFWRHO-GJZGRUSLSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
2.43
ALogP
5
HBA
1
HBD
59.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.15
EC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.7 | 7.7 | 20.2 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | EC50 | 6.43 | 6.43 | 374.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 7.0 | nM | 8.15 | Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum | 16451077 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 20.2 | nM | 7.7 | Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat | 16451077 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 374.2 | nM | 6.43 | Agonism at 5HT4 receptor in rat tunica muscularis mucosa | 16451077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451077 | 10.1021/jm0509501 | Serotonin 3 receptor (5HT3) | 3 |
| 16451077 | 10.1021/jm0509501 | 5-hydroxytryptamine receptor 4 | 2 |
| 16451077 | 10.1021/jm0509501 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine