Compound Detail
CHEMBL1914576
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Basic Information
| ChEMBL ID | CHEMBL1914576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSWZFAPYKOARNG-UHFFFAOYSA-N |
1
Targets
6
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.2
MW (Da)
4.38
ALogP
4
HBA
0
HBD
80.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.5
IC50 1 meas. best 7.22
Ki 1 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 7.5 | 6.245 | 32.0 | 4 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | Ki | 6.18 | 6.18 | 655.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | EC50 | = | 32.0 | nM | 7.5 | Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redist... | 21950657 |
| G-protein coupled receptor 35 | EC50 | = | 32.0 | nM | 7.5 | Agonist activity at human GPR35 expressed in CHO-K1 cells by DMR assay | 27976894 |
| G-protein coupled receptor 35 | IC50 | = | 60.0 | nM | 7.22 | Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 ... | 21950657 |
| G-protein coupled receptor 35 | Ki | = | 655.0 | nM | 6.18 | Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells... | 23888932 |
| G-protein coupled receptor 35 | EC50 | = | 10200.0 | nM | 4.99 | Agonist activity at GPR35 in human U20S cells expressing beta-lactamase and GPR3... | 21950657 |
| G-protein coupled receptor 35 | EC50 | = | 10200.0 | nM | 4.99 | Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-... | 27976894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21950657 | 10.1021/jm200999f | G-protein coupled receptor 35 | 7 |
| 23888932 | 10.1021/jm4009373 | G-protein coupled receptor 35 | 2 |
| 27976894 | 10.1021/acs.jmedchem.6b01431 | G-protein coupled receptor 35 | 2 |
| 21950657 | 10.1021/jm200999f | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine