Compound Detail
CHEMBL3915620
LY2881835 Phase I
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Phase I
CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3915620 |
| Name | LY2881835 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | FHRWHNJJQGSCQC-LJAQVGFWSA-N |
3
Targets
13
Activities
3
Assay Types
27
PK Parameters
20
Publications
2
Known Names
1
Indications
1
Mechanisms
Molecular Properties
491.6
MW (Da)
6.41
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
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 agonist | AGONIST | Free fatty acid receptor 1 | ✓ | ✓ |
Indications
Diabetes Mellitus, Type 2
Activity Summary
EC50 10 meas. best 9.07
Ki 2 meas. best 8.33
Kd 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL5411 | EC50 | 9.07 | 9.07 | 0.8 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 8.92 | 7.655 | 1.2 | 8 |
| Free fatty acid receptor 1 CHEMBL1795180 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | Kd | 8.6 | 8.6 | 2.5 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | Ki | 8.33 | 8.33 | 4.7 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5150.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 218.0 | ng.hr.mL-1 | Mus musculus |
| CL | 11.0 | L/hr | Homo sapiens |
| CL | 20.4 | mL.min-1.kg-1 | Mus musculus |
| CL | 11.6 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.9 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 5797.04 | nM | Mus musculus |
| Cmax | 2243.56 | nM | Mus musculus |
| Cmax | 22781.36 | nM | Rattus norvegicus |
| Cmax | 5817.38 | nM | Canis lupus familiaris |
| F | 64.0 | % | Rattus norvegicus |
| F | 71.0 | % | Mus musculus |
| F | 74.0 | % | Canis lupus familiaris |
| T1/2 | 0.3 | hr | Homo sapiens |
| T1/2 | 1.3 | hr | Mus musculus |
| T1/2 | 0.03333 | hr | Mus musculus |
| T1/2 | 2.1 | hr | Mus musculus |
| T1/2 | 2.1 | hr | Rattus norvegicus |
| T1/2 | 5.05 | 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 |
| Tmax | 0.7 | hr | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
| Tmax | 0.25 | hr | Rattus norvegicus |
| Tmax | 3.0 | hr | Canis lupus familiaris |
| Vd | 111.0 | l | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine