Molecule Details
| InChIKey | AQSSMEORRLJZLU-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-Chloro-3-(5-methyl-3-((4-(2-pyrrolidin-1-ylethoxy)phenyl)amino)-1,2,4-benzotriazin-7-yl)phenol |
| Canonical SMILES | Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 34 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.76 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (34)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P54756 | EPHA5 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 9.4 | Kd | ChEMBL |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.3 | IC50 | ChEMBL;BindingDB |
| O15197 | EPHB6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 9.2 | Kd | ChEMBL |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.2 | Kd | ChEMBL |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 9.1 | Kd | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 9.0 | Kd | ChEMBL |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 9.0 | Kd | ChEMBL |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 9.0 | Kd | ChEMBL |
| P36896 | ACVR1B | Homo sapiens | Human | PF01064 PF00069 PF08515 | 9.0 | Kd | ChEMBL |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 9.0 | Kd | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.0 | Kd | ChEMBL |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 9.0 | IC50 | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 8.8 | Ki | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.8 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | pIC50 | TTD_MultiTarget |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 8.7 | Kd | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.7 | Kd | ChEMBL |
| P29323 | EPHB2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 8.7 | Kd | ChEMBL |
| P36897 | TGFBR1 | Homo sapiens | Human | PF01064 PF00069 PF08515 | 8.7 | Kd | ChEMBL |
| P54753 | EPHB3 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 8.7 | Kd | ChEMBL |
| P54764 | EPHA4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF07647 | 8.7 | Kd | ChEMBL |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 8.7 | Kd | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.7 | IC50 | ChEMBL;BindingDB |
| O14578 | CIT | Homo sapiens | Human | PF00780 PF00169 PF00069 PF00433 | 8.5 | Kd | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 8.5 | Kd | ChEMBL |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 8.5 | Kd | ChEMBL |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 8.5 | Kd | ChEMBL |
| Q13873 | BMPR2 | Homo sapiens | Human | PF01064 PF00069 | 8.5 | Kd | ChEMBL |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 8.5 | Kd | ChEMBL |
| Q9UBE8 | NLK | Homo sapiens | Human | PF00069 | 8.5 | Kd | ChEMBL |
| Q9Y2K2 | SIK3 | Homo sapiens | Human | PF00069 PF23312 | 8.5 | Kd | ChEMBL |
| Q9Y572 | RIPK3 | Homo sapiens | Human | PF00069 PF12721 | 8.5 | Kd | ChEMBL |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 8.4 | Kd | ChEMBL |
| P54760 | EPHB4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.8 | IC50 | ChEMBL;BindingDB |