Molecule Details
| InChIKey | DQLDJYJWPVFOFC-REUBFRLUSA-N |
|---|---|
| Compound Name | 2,10-Dioxo-11-(2''-trifluoromethyl-biphenyl-4-ylmethyl)-1-oxa-3,9-diaza-cyclopentadecane-8,12-dicarboxylic acid 12-hydroxyamide 8-[(2-oxo-2-piperazin-1-yl-ethyl)-amide] |
| Canonical SMILES | O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCNCC2)NC(=O)[C@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)[C@@H](C(=O)NO)CCCO1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.54 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.3 | Ki | ChEMBL;BindingDB |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 6.8 | Ki | ChEMBL;BindingDB |
| P39900 | MMP12 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.4 | Ki | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.2 | Ki | ChEMBL;BindingDB |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.2 | Ki | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.2 | Ki | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.8 | pIC50 | TTD_MultiTarget |