Compound Detail
CHEMBL1914590
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 | CHEMBL1914590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPPRWJDMLFTECO-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
7.50
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.72
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 5.72 | 5.18 | 1890.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 570.0 | nM | 6.24 | Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 ... | 21950657 |
| G-protein coupled receptor 35 | EC50 | = | 1890.0 | nM | 5.72 | Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redist... | 21950657 |
| G-protein coupled receptor 35 | EC50 | = | 22700.0 | nM | 4.64 | Agonist activity at GPR35 in human U20S cells expressing beta-lactamase and GPR3... | 21950657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21950657 | 10.1021/jm200999f | G-protein coupled receptor 35 | 7 |
Data from ChEMBL 36 via Core Engine