Molecule Details
| InChIKey | XVBGRTMNFNMINE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Xmd17-109 |
| Canonical SMILES | CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.84 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15075 | DCLK1 | Homo sapiens | Human | PF03607 PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q13164 | MAPK7 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.8 | IC50 | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.7 | Kd | ChEMBL;BindingDB |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.3 | Kd | ChEMBL;BindingDB |