Molecule Details
| InChIKey | FJMQKJOWJVMHPQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-(2,6-dimethoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide |
| Canonical SMILES | COc1cccc(OC)c1C1(C(=O)NS(=O)(=O)Cc2ccc(N3Cc4c(c(OCC(F)(F)F)c5cccnc5c4OCC(F)(F)F)C3=O)c(C)c2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.33 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35408 | PTGER4 | Homo sapiens | Human | PF00001 | 8.9 | Ki | ChEMBL;BindingDB |
| P21731 | TBXA2R | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| Q13258 | PTGDR | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P43116 | PTGER2 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P43088 | PTGFR | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |