Molecule Details
| InChIKey | BMGQWWVMWDBQGC-PZFYLCKJSA-N |
|---|---|
| Compound Name | N-[(2R,3S,4S,6S)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide |
| Canonical SMILES | CO[C@H]1[C@@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 91 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.74 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (91)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16512 | PKN1 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 8.0 | Kd | BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.0 | Kd | BindingDB |
| P80192 | MAP3K9 | Homo sapiens | Human | PF07714 PF14604 | 7.8 | Kd | BindingDB |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 7.8 | Kd | BindingDB |
| Q16584 | MAP3K11 | Homo sapiens | Human | PF07714 PF14604 | 7.8 | Kd | BindingDB |
| Q9UQM7 | CAMK2A | Homo sapiens | Human | PF08332 PF00069 | 7.7 | Kd | BindingDB |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 7.7 | Kd | BindingDB |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 7.4 | Kd | BindingDB |
| Q13043 | STK4 | Homo sapiens | Human | PF11629 PF00069 | 7.4 | Kd | BindingDB |
| O60285 | NUAK1 | Homo sapiens | Human | PF00069 | 7.4 | Kd | BindingDB |
| Q96SB4 | SRPK1 | Homo sapiens | Human | PF00069 | 7.4 | Kd | BindingDB |
| Q2M2I8 | AAK1 | Homo sapiens | Human | PF00069 | 7.3 | Kd | BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.3 | IC50 | ChEMBL |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.3 | IC50 | ChEMBL |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.3 | IC50 | ChEMBL |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.3 | IC50 | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.3 | pIC50 | TTD_MultiTarget |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.3 | IC50 | ChEMBL |
| P41743 | PRKCI | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 7.3 | IC50 | ChEMBL |
| Q05513 | PRKCZ | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 7.3 | IC50 | ChEMBL |
| Q15139 | PRKD1 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.3 | IC50 | ChEMBL |
| Q9H093 | NUAK2 | Homo sapiens | Human | PF00069 | 7.2 | Kd | BindingDB |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 7.2 | Kd | BindingDB |
| Q96RR4 | CAMKK2 | Homo sapiens | Human | PF00069 | 7.1 | Kd | BindingDB |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 7.1 | Kd | BindingDB |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 7.1 | Kd | BindingDB |
| Q7KZI7 | MARK2 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 7.0 | Kd | BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 7.0 | Kd | BindingDB |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 6.9 | Kd | BindingDB |
| Q8IVH8 | MAP4K3 | Homo sapiens | Human | PF00780 PF00069 | 6.9 | Kd | BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q8N5S9 | CAMKK1 | Homo sapiens | Human | PF00069 | 6.9 | Kd | BindingDB |
| Q13555 | CAMK2G | Homo sapiens | Human | PF08332 PF00069 | 6.8 | Kd | BindingDB |
| P57059 | SIK1 | Homo sapiens | Human | PF00069 PF23312 | 6.8 | Kd | BindingDB |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.8 | Kd | BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q9P0L2 | MARK1 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.8 | Kd | BindingDB |
| O75914 | PAK3 | Homo sapiens | Human | PF00786 PF00069 | 6.7 | Kd | BindingDB |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.7 | Kd | BindingDB |
| O15530 | PDPK1 | Homo sapiens | Human | PF14593 PF00069 | 6.7 | Kd | BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.7 | Kd | BindingDB |
| Q13554 | CAMK2B | Homo sapiens | Human | PF08332 PF00069 | 6.7 | Kd | BindingDB |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q13188 | STK3 | Homo sapiens | Human | PF11629 PF00069 | 6.7 | Kd | BindingDB |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.7 | Kd | BindingDB |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 6.7 | Kd | BindingDB |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 6.6 | Kd | BindingDB |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 6.6 | Kd | BindingDB |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 6.6 | Kd | BindingDB |
| O75676 | RPS6KA4 | Homo sapiens | Human | PF00069 PF00433 | 6.6 | Kd | BindingDB |
| P78356 | PIP4K2B | Homo sapiens | Human | PF01504 | 6.6 | Kd | BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.5 | Kd | BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Kd | BindingDB |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.5 | Kd | BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.5 | Kd | BindingDB |
| Q99755 | PIP5K1A | Homo sapiens | Human | PF01504 | 6.5 | Kd | BindingDB |
| P78362 | SRPK2 | Homo sapiens | Human | PF00069 | 6.5 | Kd | BindingDB |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 6.5 | Kd | BindingDB |
| P33981 | TTK | Homo sapiens | Human | PF00069 | 6.5 | Kd | BindingDB |
| Q15831 | STK11 | Homo sapiens | Human | PF00069 | 6.5 | Kd | BindingDB |
| Q96L34 | MARK4 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.4 | Kd | BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.4 | Kd | BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.4 | Kd | BindingDB |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 6.4 | Kd | BindingDB |
| O14730 | RIOK3 | Homo sapiens | Human | PF01163 | 6.4 | Kd | BindingDB |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 6.4 | Kd | BindingDB |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.3 | Kd | BindingDB |
| P54646 | PRKAA2 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.3 | Kd | BindingDB |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.3 | Kd | BindingDB |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.2 | Kd | BindingDB |
| Q86V86 | PIM3 | Homo sapiens | Human | PF00069 | 6.2 | Kd | BindingDB |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 6.2 | Kd | BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.2 | Kd | BindingDB |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.2 | Kd | BindingDB |
| Q86YV6 | MYLK4 | Homo sapiens | Human | PF00069 | 6.2 | Kd | BindingDB |
| Q8IWQ3 | BRSK2 | Homo sapiens | Human | PF21122 PF00069 PF21115 | 6.2 | Kd | BindingDB |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.2 | Kd | BindingDB |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.2 | Kd | BindingDB |
| Q8IU85 | CAMK1D | Homo sapiens | Human | PF00069 | 6.2 | Kd | BindingDB |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.2 | Kd | BindingDB |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | Kd | BindingDB |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | Kd | BindingDB |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.1 | Kd | BindingDB |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.1 | Kd | BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | IC50 | ChEMBL |
| Q02779 | MAP3K10 | Homo sapiens | Human | PF07714 PF14604 | 6.1 | Kd | BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.1 | Kd | BindingDB |
| Q16816 | PHKG1 | Homo sapiens | Human | PF00069 | 6.0 | Kd | BindingDB |
| Q9UIK4 | DAPK2 | Homo sapiens | Human | PF00069 | 6.0 | Kd | BindingDB |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | Kd | BindingDB |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.0 | Kd | BindingDB |