Molecule Details
| InChIKey | ZGBAPSHWPBXEKN-OPHFCASCSA-N |
|---|---|
| Compound Name | (1S,2S,5R)-2-[4-[2-(oxan-4-yl)ethoxy]benzoyl]-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid |
| Canonical SMILES | O=C(O)[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1C(=O)c1ccc(OCCC2CCOCC2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.19 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P39900 | MMP12 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 10.1 | IC50 | ChEMBL |
| P09238 | MMP10 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.9 | IC50 | ChEMBL |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.8 | IC50 | ChEMBL |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.4 | IC50 | ChEMBL |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.2 | IC50 | ChEMBL |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 6.6 | IC50 | ChEMBL |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.4 | IC50 | ChEMBL |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.3 | IC50 | ChEMBL |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 6.2 | IC50 | ChEMBL |
| P51512 | MMP16 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 6.0 | IC50 | ChEMBL |