Molecule Details
| InChIKey | HKSWAIDHHZHZTD-UHFFFAOYSA-N |
|---|---|
| Compound Name | US10072034, Example 3 |
| Canonical SMILES | COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc(OCCOCCOCC(=O)O)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.75 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P01375 | TNF | Homo sapiens | Human | PF00229 | 8.0 | IC50 | ChEMBL;BindingDB |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 7.9 | IC50 | ChEMBL;BindingDB |
| P10145 | CXCL8 | Homo sapiens | Human | PF00048 | 7.8 | IC50 | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.7 | IC50 | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.6 | IC50 | BindingDB |
| P15260 | IFNGR1 | Homo sapiens | Human | PF07140 PF20634 PF01108 | 7.5 | IC50 | BindingDB |