Molecule Details
| InChIKey | MKKNODUCOLIUJT-DPZKWCDVSA-N |
|---|---|
| Compound Name | ethyl (1R,4S,5R,9S,10R,13S,14E)-5,9,13-trimethyl-14-[(3-methyloxetan-3-yl)methoxyimino]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
| Canonical SMILES | CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C/C4=N\OCC1(C)COC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.71 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.5 | Ki | ChEMBL |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 6.6 | Ki | ChEMBL |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.5 | Ki | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.5 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.5 | Ki | ChEMBL |