Compound Detail
CHEMBL199866
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Basic Information
| ChEMBL ID | CHEMBL199866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDLHHOYFXIQIGQ-LLOHZTEESA-N |
| Parent Compound | CHEMBL1181946 |
| Active Moiety | CHEMBL1181946 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.9
MW (Da)
2.29
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.89
Ki 1 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | EC50 | 6.89 | 6.89 | 129.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.35 | nM | 9.46 | Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum | 16451077 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 129.0 | nM | 6.89 | Agonism at 5HT4 receptor in rat tunica muscularis mucosa | 16451077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451077 | 10.1021/jm0509501 | 5-hydroxytryptamine receptor 4 | 2 |
| 16451077 | 10.1021/jm0509501 | Serotonin 3 receptor (5HT3) | 1 |
Data from ChEMBL 36 via Core Engine