Molecule Details
| InChIKey | ZDACFCFMMWTLTA-STBZDDNXSA-N |
|---|---|
| Compound Name | (4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-16-(methylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione |
| Canonical SMILES | CNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.2 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 7.6 | IC50 | ChEMBL |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | IC50 | ChEMBL |
| Q13233 | MAP3K1 | Homo sapiens | Human | PF21040 PF00069 PF04434 | 7.3 | IC50 | ChEMBL |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.3 | IC50 | ChEMBL |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.0 | IC50 | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.0 | IC50 | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.7 | IC50 | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.3 | IC50 | ChEMBL |