Compound Detail
CHEMBL3746388
TERN-101 🧪 Phase II
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🧪 Phase II
Cn1cc(C(=O)O)c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21
Basic Information
| ChEMBL ID | CHEMBL3746388 |
| Name | TERN-101 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | RPVDFHPBGBMWID-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
30
PK Parameters
20
Publications
3
Known Names
1
Indications
1
Mechanisms
Molecular Properties
540.5
MW (Da)
6.90
ALogP
6
HBA
1
HBD
80.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bile acid receptor FXR agonist | AGONIST | Bile acid receptor | ✓ | ✓ |
Indications
Non-alcoholic Fatty Liver Disease
Activity Summary
EC50 8 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 8.4 | 7.2929 | 4.0 | 7 |
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 5.83 | 5.83 | 1497.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 577.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 365.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1785.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 4686.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 2302.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 1813.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 195.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 201.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 30.0 | ml/kg.min | Rattus norvegicus |
| CL | 9.0 | ml/kg.min | Canis lupus familiaris |
| CL | 6.0 | ml/kg.min | Macaca fascicularis |
| CL | 111.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 8.8 | mL.min-1.kg-1 | Homo sapiens |
| CL | 82.6 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 240.54 | nM | Rattus norvegicus |
| Cmax | 2299.94 | nM | Canis lupus familiaris |
| Cmax | 408.92 | nM | Macaca fascicularis |
| Cmax | 8.548 | nM | Rattus norvegicus |
| Cmax | 523.64 | nM | Rattus norvegicus |
| F | 21.0 | % | Rattus norvegicus |
| F | 82.0 | % | Canis lupus familiaris |
| F | 24.0 | % | Macaca fascicularis |
| F | 32.4 | % | Rattus norvegicus |
| Fu | 0.02 | - | Rattus norvegicus |
| Fu | 0.032 | - | Homo sapiens |
| Fu | 4.9e-05 | - | Macaca fascicularis |
| Fu | 0.000122 | - | Homo sapiens |
| MRT | 0.35 | hr | Rattus norvegicus |
| T1/2 | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine