Compound Detail
CHEMBL5285029
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CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F
Basic Information
| ChEMBL ID | CHEMBL5285029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGKGNSNLRIGZKH-UHFFFAOYSA-N |
1
Targets
4
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
804.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.25
EC50 1 meas. best 7.38
Kd 1 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 8.25 | 7.325 | 5.6 | 2 |
| G-protein coupled receptor 35 CHEMBL1293267 | Kd | 8.08 | 8.08 | 8.3 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 7.38 | 7.38 | 42.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 5.6 | nM | 8.25 | Agonist activity at GPR-35 in human HT-29 cells assessed as desensitization of z... | 37077394 |
| G-protein coupled receptor 35 | Kd | = | 8.3 | nM | 8.08 | Binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells using furim... | 37077394 |
| G-protein coupled receptor 35 | EC50 | = | 42.2 | nM | 7.38 | Agonist activity at GPR-35 in human HT-29 cells by DMR assay | 37077394 |
| G-protein coupled receptor 35 | IC50 | = | 397.6 | nM | 6.4 | Agonist activity at GPR-35 in human HT-29 cells assessed as desensitization of z... | 37077394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37077394 | 10.1021/acsmedchemlett.2c00461 | G-protein coupled receptor 35 | 5 |
Data from ChEMBL 36 via Core Engine