Compound Detail
CHEMBL3306990
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Basic Information
| ChEMBL ID | CHEMBL3306990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQWZDAGMSVUJGI-UHFFFAOYSA-N |
1
Targets
6
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
314.2
MW (Da)
1.07
ALogP
4
HBA
4
HBD
140.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.13
EC50 2 meas. best 8.97
Ki 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 9.13 | 7.9767 | 0.7 | 3 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 8.97 | 8.535 | 1.1 | 2 |
| G-protein coupled receptor 35 CHEMBL1293267 | Ki | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 0.74 | nM | 9.13 | Agonist activity at human GPR35 receptor expressed in CHO-K1 cells assessed as d... | 33630609 |
| G-protein coupled receptor 35 | EC50 | = | 1.08 | nM | 8.97 | Agonist activity at human GPR35 receptor expressed in CHO-K1 cells assessed as d... | 33630609 |
| G-protein coupled receptor 35 | IC50 | = | 2.0 | nM | 8.7 | Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as de... | 33630609 |
| G-protein coupled receptor 35 | Ki | = | 6.0 | nM | 8.22 | Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells... | 37077394 |
| G-protein coupled receptor 35 | EC50 | = | 8.0 | nM | 8.1 | Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as dy... | 33630609 |
| G-protein coupled receptor 35 | IC50 | = | 789.0 | nM | 6.1 | 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 |
| 37077394 | 10.1021/acsmedchemlett.2c00461 | G-protein coupled receptor 35 | 1 |
Data from ChEMBL 36 via Core Engine