Molecule Details
| InChIKey | GDQXJMLXEYSICD-LJQANCHMSA-N |
|---|---|
| Compound Name | (15R)-11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one |
| Canonical SMILES | CC(C)=C[C@H]1Oc2cc(O)ccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.69 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 8.3 | IC50 | ChEMBL |
| Q01064 | PDE1B | Homo sapiens | Human | PF00233 PF08499 | 6.5 | IC50 | ChEMBL |
| O76083 | PDE9A | Homo sapiens | Human | PF00233 | 6.5 | IC50 | ChEMBL |
| O76074 | PDE5A | Homo sapiens | Human | PF01590 PF00233 | 6.4 | IC50 | ChEMBL |
| Q9Y233 | PDE10A | Homo sapiens | Human | PF01590 PF00233 | 6.3 | IC50 | ChEMBL |
| O00408 | PDE2A | Homo sapiens | Human | PF01590 PF00233 | 6.2 | IC50 | ChEMBL |