Compound Detail
CHEMBL1829173
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1829173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOPNBMMVVZRSGH-NRFANRHFSA-N |
5
Targets
28
Activities
4
Assay Types
30
PK Parameters
20
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
6.53
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 24 meas. best 8.89
Ki 2 meas. best 8.66
IC50 1 meas. best 5.52
Kd 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 8.89 | 7.4721 | 1.3 | 19 |
| Free fatty acid receptor 1 CHEMBL5411 | EC50 | 8.82 | 8.355 | 1.5 | 2 |
| Free fatty acid receptor 1 CHEMBL4422 | Kd | 8.72 | 8.72 | 1.9 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | Ki | 8.66 | 8.02 | 2.2 | 2 |
| Free fatty acid receptor 1 CHEMBL1795180 | EC50 | 8.49 | 8.065 | 3.2 | 2 |
| MIN6 CHEMBL4483258 | EC50 | 8.32 | 8.32 | 4.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 47500.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 6160.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 33800.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 7370.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 33859.0 | ng.hr.mL-1 | Mus musculus |
| CL | 1.167 | mL.min-1.kg-1 | Mus musculus |
| CL | 1.167 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.333 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 1.0 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 1.167 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 15.49 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 1.0 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 1.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 1.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 17000.0 | nM | Mus musculus |
| Cmax | 1400.0 | nM | Rattus norvegicus |
| Cmax | 7500.0 | nM | Canis lupus familiaris |
| Cmax | 2100.0 | nM | Macaca fascicularis |
| F | 67.0 | % | Mus musculus |
| F | 84.0 | % | Rattus norvegicus |
| F | 100.0 | % | Canis lupus familiaris |
| F | 88.0 | % | Macaca fascicularis |
| F | 84.0 | % | Rattus norvegicus |
| F | 67.0 | % | Macaca mulatta |
| F | 67.0 | % | Canis lupus familiaris |
| F | 67.0 | % | Rattus norvegicus |
| F | 67.0 | % | Mus musculus |
| MRT | 10.0 | hr | Rattus norvegicus |
| T1/2 | 8.0 | hr | Mus musculus |
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 | 15 |
| 27825762 | 10.1016/j.bmcl.2016.10.074 | ADMET | 12 |
| 22217876 | 10.1016/j.bmcl.2011.10.118 | Mus musculus | 9 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 6 |
| 22217876 | 10.1016/j.bmcl.2011.10.118 | Rattus norvegicus | 6 |
| 22217876 | 10.1016/j.bmcl.2011.10.118 | Canis familiaris | 6 |
| 22217876 | 10.1016/j.bmcl.2011.10.118 | Cynomolgus monkey | 6 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5058564 | U2OS | 5 |
| 27074625 | 10.1021/acs.jmedchem.6b00202 | Free fatty acid receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| 27749056 | 10.1021/acs.jmedchem.6b00892 | ADMET | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
Data from ChEMBL 36 via Core Engine