Molecule Details
| InChIKey | BVFBWNALUFMVHP-RPBOFIJWSA-N |
|---|---|
| Compound Name | (3S)-3-[(5R)-9-bromo-6-[[1-(4-bromophenyl)triazol-4-yl]methyl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one |
| Canonical SMILES | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1Cc1cn(-c2ccc(Br)cc2)nn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.43 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| A6NNZ2 | TUBB8B | Homo sapiens | Human | PF00091 PF03953 | 7.4 | Kd | ChEMBL |
| P04350 | TUBB4A | Homo sapiens | Human | PF00091 PF03953 | 7.4 | Kd | ChEMBL |
| P07437 | TUBB | Homo sapiens | Human | PF00091 PF03953 | 7.4 | Kd | ChEMBL |
| P68371 | TUBB4B | Homo sapiens | Human | PF00091 PF03953 | 7.4 | Kd | ChEMBL |
| Q13509 | TUBB3 | Homo sapiens | Human | PF00091 PF03953 | 7.4 | Kd | ChEMBL;BindingDB |
| Q13885 | TUBB2A | Homo sapiens | Human | PF00091 PF03953 | 7.4 | Kd | ChEMBL |
| Q3ZCM7 | TUBB8 | Homo sapiens | Human | PF00091 PF03953 | 7.4 | Kd | ChEMBL |
| Q9BUF5 | TUBB6 | Homo sapiens | Human | PF00091 PF03953 | 7.4 | Kd | ChEMBL |
| Q9BVA1 | TUBB2B | Homo sapiens | Human | PF00091 PF03953 | 7.4 | Kd | ChEMBL |
| Q9H4B7 | TUBB1 | Homo sapiens | Human | PF00091 PF03953 | 7.4 | Kd | ChEMBL |