Molecule Details
| InChIKey | QKKIWEILHCXECO-UHFFFAOYSA-N |
|---|---|
| Compound Name | Urmc-099 |
| Canonical SMILES | CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 24 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.02 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (24)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UKE5 | TNIK | Homo sapiens | Human | PF00780 PF00069 | 8.3 | IC50 | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q16584 | MAP3K11 | Homo sapiens | Human | PF07714 PF14604 | 7.8 | IC50 | ChEMBL;BindingDB |
| P80192 | MAP3K9 | Homo sapiens | Human | PF07714 PF14604 | 7.7 | IC50 | ChEMBL;BindingDB |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.4 | IC50 | ChEMBL |
| Q02779 | MAP3K10 | Homo sapiens | Human | PF07714 PF14604 | 7.4 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.3 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 7.1 | IC50 | ChEMBL;BindingDB |
| P80370 | DLK1 | Homo sapiens | Human | PF00008 | 7.0 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.8 | IC50 | ChEMBL;BindingDB |
| O00141 | SGK1 | Homo sapiens | Human | PF00069 PF00433 | 6.7 | IC50 | ChEMBL;BindingDB |
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.7 | IC50 | ChEMBL;BindingDB |
| O14920 | IKBKB | Homo sapiens | Human | PF18397 PF12179 PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 6.5 | IC50 | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | IC50 | ChEMBL |
| O15111 | CHUK | Homo sapiens | Human | PF18397 PF12179 PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q9Y2U5 | MAP3K2 | Homo sapiens | Human | PF00564 PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 6.1 | IC50 | ChEMBL;BindingDB |