Compound Detail
CHEMBL3633893
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 | CHEMBL3633893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPTMSQHTGZMEFU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
3.32
ALogP
4
HBA
3
HBD
88.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Probable G-protein coupled receptor 139 CHEMBL3632455 | EC50 | 7.37 | 7.37 | 43.0 | 1 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 5.52 | 5.52 | 3000.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Probable G-protein coupled receptor 139 | EC50 | = | 43.0 | nM | 7.37 | Agonist activity at human GPR139 receptor expressed in HEK293 cells assessed as ... | 26396690 |
| Free fatty acid receptor 4 | EC50 | = | 3000.42 | nM | 5.52 | GPCR PRESTO-Tango dose-response in antagonist mode with target: FFAR4 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303300 | U2OS | 304 |
| - | 10.6019/CHEMBL5303300 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5303300 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058564 | U2OS | 9 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 8 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 8 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 8 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 8 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 8 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 8 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 8 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 8 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 8 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 8 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 8 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 8 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 3 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
Data from ChEMBL 36 via Core Engine