Molecule Details
| InChIKey | MYSBVCKSODARFZ-BTFPBAQTSA-N |
|---|---|
| Compound Name | 2-[(1S,3R,9S,11R,14S)-9-[3-(diaminomethylideneamino)propyl]-4,7,10,18-tetraoxo-2,5,8,19-tetrazatricyclo[9.6.2.014,19]nonadecan-3-yl]acetic acid |
| Canonical SMILES | N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](CC(=O)O)N[C@H]2CCC[C@H]3CC[C@H](C1=O)N3C2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.82 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18084 | ITGB5 | Homo sapiens | Human | PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 9.0 | IC50 | ChEMBL |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.9 | IC50 | ChEMBL |
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.6 | IC50 | ChEMBL |