Molecule Details
| InChIKey | WLEUBRYSZJGDFY-AREMUKBSSA-N |
|---|---|
| Compound Name | (5R)-6-methyl-31-oxo-20-oxa-2,6,11,13-tetrazahexacyclo[19.6.2.12,5.115,19.09,13.024,28]hentriaconta-1(27),9,11,15(30),16,18,21(29),22,24(28),25-decaene-18-carbonitrile |
| Canonical SMILES | CN1CCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)N2CC[C@@H]1C2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49356 | FNTB | Homo sapiens | Human | PF00432 | 8.9 | IC50 | ChEMBL |
| P49354 | FNTA | Homo sapiens | Human | PF01239 | 8.2 | IC50 | ChEMBL;BindingDB |
| P53609 | PGGT1B | Homo sapiens | Human | PF00432 | 7.4 | IC50 | ChEMBL |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.7 | IC50 | ChEMBL;BindingDB |