Compound Detail
CHEMBL18775
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Basic Information
| ChEMBL ID | CHEMBL18775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBDSCBZDTZHXHG-UHFFFAOYSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.99
ALogP
3
HBA
0
HBD
31.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.3
IC50 1 meas. best 5.7
Ki 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| Cysteinyl leukotriene receptor CHEMBL2094254 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 | EC50 | = | 500.0 | nM | 6.3 | Agonist activity against human GPBAR1 expressed in HEK293T cells assessed as tra... | 34767347 |
| Cysteinyl leukotriene receptor | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of the spasmogenic activity of LTD4 in guinea pig parenchymal strips. | 2157009 |
| Cysteinyl leukotriene receptor 1 | Ki | = | 3800.0 | nM | 5.42 | Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung ... | 2157009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34767347 | 10.1021/acs.jmedchem.1c01078 | Cysteinyl leukotriene receptor 1 | 2 |
| 34767347 | 10.1021/acs.jmedchem.1c01078 | G-protein coupled bile acid receptor 1 | 2 |
| 2157009 | 10.1021/jm00166a016 | Cysteinyl leukotriene receptor 1 | 1 |
| 2157009 | 10.1021/jm00166a016 | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine