Compound Detail
CHEMBL83954
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Basic Information
| ChEMBL ID | CHEMBL83954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLSGBCUXLRMTPF-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
2.96
ALogP
5
HBA
1
HBD
64.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.72
EC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 7.72 | 7.72 | 19.0 | 2 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 7.55 | 7.55 | 28.1 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]GR113808 from serotonin 5-HT4 receptor in Dunkin-Hartley gui... | 30108781 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]-GR113808 from 5-HT4R in Dunkin-Hartley guinea pig straitum ... | 30288221 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 28.1 | nM | 7.55 | Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat st... | 9046352 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 30.0 | nM | 7.52 | 5-hydroxytryptamine 4 receptor agonist activity, concentration which gave 50% in... | 9046352 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 31.62 | nM | 7.5 | Binding affinity at 5HT4 receptor | 19261477 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 1995.26 | nM | 5.7 | Binding affinity at 5HT3 receptor | 19261477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046352 | 10.1021/jm960320m | 5-hydroxytryptamine receptor 4 | 4 |
| 30108781 | 10.1039/C6MD00458J | 5-hydroxytryptamine receptor 4 | 3 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.1016/S0960-894X(01)80413-3 | 5-hydroxytryptamine receptor 4 | 1 |
| 19261477 | 10.1016/j.bmc.2008.11.045 | 5-hydroxytryptamine receptor 3A | 1 |
| 19261477 | 10.1016/j.bmc.2008.11.045 | 5-hydroxytryptamine receptor 4 | 1 |
| 30288221 | 10.1039/C8MD00233A | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine