Compound Detail
CHEMBL1829174
FASIGLIFAM 🧪 Phase III
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🧪 Phase III
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL1829174 |
| Name | FASIGLIFAM |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | BZCALJIHZVNMGJ-HSZRJFAPSA-N |
9
Targets
50
Activities
4
Assay Types
29
PK Parameters
20
Publications
6
Known Names
2
Indications
1
Mechanisms
Molecular Properties
524.6
MW (Da)
5.31
ALogP
6
HBA
1
HBD
99.1
PSA (Ų)
0.34
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Free fatty acid receptor 1 positive allosteric modulator | POSITIVE ALLOSTERIC MODULATOR | Free fatty acid receptor 1 | ✓ | ✓ |
Indications
Diabetes Mellitus Diabetes Mellitus, Type 2
Activity Summary
EC50 41 meas. best 9.46
IC50 5 meas. best 5.7
Kd 2 meas. best 8.35
Ki 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 9.46 | 7.5289 | 0.3 | 36 |
| Free fatty acid receptor 1 CHEMBL4422 | Kd | 8.35 | 8.135 | 4.5 | 2 |
| Free fatty acid receptor 1 CHEMBL4422 | Ki | 8.11 | 7.825 | 7.7 | 2 |
| Free fatty acid receptor 1 CHEMBL5411 | EC50 | 8.07 | 8.07 | 8.6 | 1 |
| GPR40-Galpha16 CHEMBL5482994 | EC50 | 7.45 | 7.45 | 35.8 | 1 |
| Free fatty acid receptor 1 CHEMBL1795180 | EC50 | 7.44 | 6.4733 | 36.0 | 3 |
| Hepatic sodium/bile acid cotransporter CHEMBL5287 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | IC50 | 5.64 | 5.64 | 2280.0 | 1 |
| ATP-binding cassette sub-family C member 2 CHEMBL5748 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | IC50 | 4.95 | 4.95 | 11200.0 | 1 |
| Hepatitis B virus CHEMBL613497 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 6514706.71 | ng.hr.mL-1 | Mus musculus |
| AUC | 10640076.94 | ng.hr.mL-1 | Mus musculus |
| AUC | 79520.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2066000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 137326.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1064230.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 255.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 100300.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 7372.0 | ng.hr.mL-1 | Mus musculus |
| CL | 5.25 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 5.5 | mL.min-1.g-1 | Homo sapiens |
| CL | 10.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 0.6177 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.4177 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 12313.21 | nM | Rattus norvegicus |
| Cmax | 37034.92 | nM | Rattus norvegicus |
| Cmax | 166571.36 | nM | Rattus norvegicus |
| Cmax | 75.86 | nM | Rattus norvegicus |
| Cmax | 10102.17 | nM | Homo sapiens |
| Cmax | 3490.01 | nM | Rattus norvegicus |
| F | 36.0 | % | Rattus norvegicus |
| T1/2 | 28.0 | hr | Homo sapiens |
| T1/2 | 4.29 | hr | Rattus norvegicus |
| T1/2 | 3.94 | hr | Rattus norvegicus |
| T1/2 | 4.32 | hr | Rattus norvegicus |
| T1/2 | 2.9 | hr | Rattus norvegicus |
| t1/2 | - | - | Rattus norvegicus |
| Tmax | 3.5 | hr | Rattus norvegicus |
| Tmax | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27749056 | 10.1021/acs.jmedchem.6b00892 | Free fatty acid receptor 1 | 16 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 8 |
| 30212763 | 10.1016/j.ejmech.2018.08.075 | Free fatty acid receptor 1 | 7 |
| 30392954 | 10.1016/j.bmc.2018.10.019 | Rattus norvegicus | 7 |
| 28277660 | 10.1021/acs.jmedchem.6b01357 | Free fatty acid receptor 1 | 6 |
| 29366647 | 10.1016/j.bmcl.2018.01.013 | Rattus norvegicus | 6 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| 27074625 | 10.1021/acs.jmedchem.6b00202 | Free fatty acid receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| 26945112 | 10.1016/j.ejmech.2016.02.040 | Mus musculus | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| 30655940 | 10.1021/acsmedchemlett.8b00444 | Free fatty acid receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
Data from ChEMBL 36 via Core Engine