Compound Detail
CHEMBL2386353
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Basic Information
| ChEMBL ID | CHEMBL2386353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIZUBVPJNPVIIN-UHFFFAOYSA-N |
6
Targets
13
Activities
2
Assay Types
11
PK Parameters
20
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
3.31
ALogP
2
HBA
1
HBD
61.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 10 meas. best 8.23
Ki 3 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 8.23 | 7.935 | 5.9 | 6 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 8.22 | 7.125 | 6.0 | 2 |
| Free fatty acid receptor 1 CHEMBL4422 | Ki | 7.07 | 7.07 | 85.1 | 1 |
| Free fatty acid receptor 1 CHEMBL5411 | EC50 | 6.83 | 6.83 | 147.9 | 1 |
| Free fatty acid receptor 1 CHEMBL1795180 | EC50 | 6.49 | 6.49 | 323.6 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.96 | 5.96 | 1097.1 | 1 |
| Translocator protein CHEMBL5742 | Ki | 5.48 | 5.48 | 3298.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 73133.33 | ng.hr.mL-1 | Mus musculus |
| AUC | 13483.33 | ng.hr.mL-1 | Mus musculus |
| CL | 3.1 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 40153.59 | nM | Mus musculus |
| Cmax | 25416.5 | nM | Mus musculus |
| F | 136.0 | % | Mus musculus |
| T1/2 | 5.917 | hr | Mus musculus |
| T1/2 | 1.983 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
| Tmax | 0.08333 | hr | Mus musculus |
| Vd | 0.53 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724696 | U2OS | 24 |
| - | 10.6019/CHEMBL5724696 | TERT-RPE1 | 24 |
| 23687558 | 10.1021/ml4000673 | Mus musculus | 16 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4689842 | U2OS | 8 |
| 23687558 | 10.1021/ml4000673 | Free fatty acid receptor 1 | 7 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| 27074625 | 10.1021/acs.jmedchem.6b00202 | Free fatty acid receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 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 |
Data from ChEMBL 36 via Core Engine