Compound Detail
CHEMBL1914591
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Basic Information
| ChEMBL ID | CHEMBL1914591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYKNFAXHCPLUOW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
8.28
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
IC50 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 5.64 | 5.64 | 2310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 1870.0 | nM | 5.73 | Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 ... | 21950657 |
| G-protein coupled receptor 35 | EC50 | = | 2310.0 | nM | 5.64 | Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redist... | 21950657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21950657 | 10.1021/jm200999f | G-protein coupled receptor 35 | 8 |
Data from ChEMBL 36 via Core Engine