Molecule Details
| InChIKey | QMEZKJBCLUGJTN-APQFZBCISA-N |
|---|---|
| Compound Name | (3S,9S)-9,16-dihydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-hexahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione |
| Canonical SMILES | COc1cc(O)c2c(c1)CCC[C@H](O)CC(=O)/C=C\C[C@H](C)OC2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.1 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.2 | IC50 | ChEMBL |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 8.1 | IC50 | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.2 | IC50 | ChEMBL |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 6.1 | IC50 | ChEMBL |