Compound Detail
CHEMBL2402904
FELCISETRAG 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2402904 |
| Name | FELCISETRAG |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MZOITCJKGUIQEI-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
10
PK Parameters
20
Publications
4
Known Names
4
Indications
1
Mechanisms
Molecular Properties
455.6
MW (Da)
3.61
ALogP
5
HBA
2
HBD
90.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serotonin 4 (5-HT4) receptor agonist | AGONIST | 5-hydroxytryptamine receptor 4 | ✓ | ✓ |
Indications
Gastroparesis Gastrointestinal Diseases Kidney Diseases Liver Diseases
Activity Summary
EC50 4 meas. best 9.3
Ki 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 9.3 | 9.06 | 0.5 | 2 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | EC50 | 8.6 | 8.335 | 2.5 | 2 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2280.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 1240.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 1018.44 | nM | Canis lupus familiaris |
| Cmax | 1795.43 | nM | Rattus norvegicus |
| F | 63.0 | % | Canis lupus familiaris |
| F | 77.0 | % | Rattus norvegicus |
| T1/2 | 12.0 | hr | Homo sapiens |
| T1/2 | 3.5 | hr | Canis lupus familiaris |
| T1/2 | 1.6 | hr | Rattus norvegicus |
| T1/2 | 1.433 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.3981 | nM | 9.4 | Binding affinity to human recombinant 5HT4 receptor | 23756062 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 0.5012 | nM | 9.3 | Agonist activity at human recombinant 5HT4 receptor assessed as cAMP accumulatio... | 23756062 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 1.5 | nM | 8.82 | Agonist activity at human 5HT4e receptor expressed in CHO cells assessed as cAMP... | 26363507 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 2.512 | nM | 8.6 | Induction of 5-HT4 receptor-mediated contraction in guinea pig longitudinal musc... | 23756062 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 8.6 | nM | 8.07 | Agonist activity at 5-HT4 receptor in guinea pig colon | 26363507 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 100000.0 | nM | 4.0 | Binding affinity to human recombinant 5HT3 receptor | 23756062 |
Literature References
Data from ChEMBL 36 via Core Engine