Compound Detail
CHEMBL4876009
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Basic Information
| ChEMBL ID | CHEMBL4876009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLXHLQZJSVCSRH-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
351.1
MW (Da)
3.79
ALogP
4
HBA
2
HBD
100.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.45
EC50 2 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 8.45 | 7.29 | 3.5 | 3 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 8.29 | 7.78 | 5.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 3.52 | nM | 8.45 | Agonist activity at human GPR35 receptor expressed in CHO-K1 cells assessed as d... | 33630609 |
| G-protein coupled receptor 35 | EC50 | = | 5.08 | nM | 8.29 | Agonist activity at human GPR35 receptor expressed in CHO-K1 cells assessed as d... | 33630609 |
| G-protein coupled receptor 35 | IC50 | = | 15.0 | nM | 7.82 | Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as de... | 33630609 |
| G-protein coupled receptor 35 | EC50 | = | 54.0 | nM | 7.27 | Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as dy... | 33630609 |
| G-protein coupled receptor 35 | IC50 | = | 2529.0 | nM | 5.6 | Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as re... | 33630609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33630609 | 10.1021/acs.jmedchem.0c01624 | G-protein coupled receptor 35 | 5 |
| 33630609 | 10.1021/acs.jmedchem.0c01624 | Muscarinic acetylcholine receptor M3 | 1 |
| 33630609 | 10.1021/acs.jmedchem.0c01624 | D(2) dopamine receptor | 1 |
| 33630609 | 10.1021/acs.jmedchem.0c01624 | Mu-type opioid receptor | 1 |
| 33630609 | 10.1021/acs.jmedchem.0c01624 | Histamine H3 receptor | 1 |
| 33630609 | 10.1021/acs.jmedchem.0c01624 | Free fatty acid receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine