Compound Detail
CHEMBL3955132
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Basic Information
| ChEMBL ID | CHEMBL3955132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJVDLRVFJTVWEO-QFIPXVFZSA-N |
3
Targets
6
Activities
2
Assay Types
30
PK Parameters
18
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
5.87
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.0
Ki 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL5411 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Free fatty acid receptor 1 CHEMBL1795180 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 8.52 | 7.83 | 3.0 | 3 |
| Free fatty acid receptor 1 CHEMBL4422 | Ki | 7.57 | 7.57 | 27.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4926.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 19400.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 41400.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 97300.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 11.0 | L/hr | Homo sapiens |
| CL | 15.4 | mL.min-1.kg-1 | Mus musculus |
| CL | 3.8 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.6 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 1160.61 | nM | Mus musculus |
| Cmax | 8694.1 | nM | Rattus norvegicus |
| Cmax | 4814.87 | nM | Canis lupus familiaris |
| Cmax | 4205.13 | nM | Homo sapiens |
| Cmax | 7947.69 | nM | Homo sapiens |
| Cmax | 16715.38 | nM | Homo sapiens |
| F | 62.0 | % | Rattus norvegicus |
| F | 95.0 | % | Mus musculus |
| F | 55.0 | % | Canis lupus familiaris |
| T1/2 | 4.2 | hr | Mus musculus |
| T1/2 | 5.6 | hr | Rattus norvegicus |
| T1/2 | 4.4 | hr | Canis lupus familiaris |
| T1/2 | 2.0 | hr | Rattus norvegicus |
| T1/2 | 2.0 | hr | Mus musculus |
| T1/2 | 2.0 | hr | Canis lupus familiaris |
| T1/2 | 12.1 | hr | Homo sapiens |
| T1/2 | 14.5 | hr | Homo sapiens |
| T1/2 | 22.4 | hr | Homo sapiens |
| Tmax | 1.0 | hr | Mus musculus |
| Tmax | 0.6 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Canis lupus familiaris |
| Tmax | 2.75 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at Prolink-tagged mouse GPR40 fused with EA-tagged beta-arresti... | 27749056 |
| Free fatty acid receptor 1 | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human GPR40 receptor expressed in HEK293 cells assessed as i... | 29236497 |
| Free fatty acid receptor 1 | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin ... | 27749056 |
| Free fatty acid receptor 1 | EC50 | = | 7.0 | nM | 8.15 | Agonist activity at human recombinant full-length Prolink-tagged GPR40 fused wit... | 27749056 |
| Free fatty acid receptor 1 | Ki | = | 27.0 | nM | 7.57 | Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR4... | 29236497 |
| Free fatty acid receptor 1 | EC50 | = | 152.0 | nM | 6.82 | Agonist activity at human GPR40 expressed in HEK293 cells assessed as increase i... | 27825762 |
Literature References
Data from ChEMBL 36 via Core Engine