Compound Detail
CHEMBL201621
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Basic Information
| ChEMBL ID | CHEMBL201621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTBHFVSMJCSNFC-HZMBPMFUSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
324.8
MW (Da)
2.57
ALogP
5
HBA
1
HBD
64.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.74
EC50 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 9.74 | 9.74 | 0.2 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | EC50 | 8.82 | 8.82 | 1.5 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.183 | nM | 9.74 | Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum | 16451077 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 1.5 | nM | 8.82 | Agonism at 5HT4 receptor in rat tunica muscularis mucosa | 16451077 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 51.0 | nM | 7.29 | Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat | 16451077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451077 | 10.1021/jm0509501 | 5-hydroxytryptamine receptor 4 | 2 |
| 16451077 | 10.1021/jm0509501 | Serotonin 3 (5-HT3) receptor | 1 |
| 16451077 | 10.1021/jm0509501 | Serotonin 3 receptor (5HT3) | 1 |
| 16451077 | 10.1021/jm0509501 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine