Compound Detail
CHEMBL3740844
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Basic Information
| ChEMBL ID | CHEMBL3740844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZYHHXMEWRCMLP-PHZGNYQRSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
2.77
ALogP
4
HBA
1
HBD
49.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 7.74 | 7.74 | 18.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 76.2 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 119.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 234.97 | nM | Rattus norvegicus |
| F | 5.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | EC50 | = | 18.3 | nM | 7.74 | Agonist activity at human 5HT4e receptor expressed in CHO cells assessed as cAMP... | 26363507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26363507 | 10.1016/j.ejmech.2015.08.051 | Rattus norvegicus | 5 |
| 26363507 | 10.1016/j.ejmech.2015.08.051 | 5-hydroxytryptamine receptor 4 | 2 |
| 26363507 | 10.1016/j.ejmech.2015.08.051 | Liver microsome | 2 |
| 26363507 | 10.1016/j.ejmech.2015.08.051 | Cytochrome P450 2D6 | 1 |
| 26363507 | 10.1016/j.ejmech.2015.08.051 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine