Compound Detail
CHEMBL4213334
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Basic Information
| ChEMBL ID | CHEMBL4213334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYKRCTZIRYSQOK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
3.38
ALogP
6
HBA
1
HBD
79.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 8.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 67.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 21.95 | nM | Rattus norvegicus |
| F | 1.1 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | EC50 | = | 0.6 | nM | 9.22 | Agonist activity at recombinant human 5-HT4E receptor expressed in CHO cells ass... | 29763304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29763304 | 10.1021/acs.jmedchem.8b00457 | Rattus norvegicus | 4 |
| 29763304 | 10.1021/acs.jmedchem.8b00457 | ADMET | 3 |
| 29763304 | 10.1021/acs.jmedchem.8b00457 | 5-hydroxytryptamine receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine