Molecule Details
| InChIKey | XLSYZSRXVVCHLS-UHFFFAOYSA-N |
|---|---|
| Compound Name | RGB-286638 free base |
| Canonical SMILES | COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 48 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.68 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (48)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 9.0 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 9.0 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 8.7 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.7 | IC50 | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 8.7 | IC50 | ChEMBL |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 8.7 | Kd | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 8.7 | Kd | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 8.6 | IC50 | ChEMBL |
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 8.5 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q00536 | CDK16 | Homo sapiens | Human | PF00069 | 8.5 | Kd | ChEMBL |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 8.4 | Kd | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 8.2 | Kd | ChEMBL |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 8.1 | Kd | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 8.1 | Kd | ChEMBL |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 8.1 | Kd | ChEMBL |
| Q9UPZ9 | CILK1 | Homo sapiens | Human | PF00069 | 8.1 | Kd | ChEMBL |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 8.0 | Kd | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 7.8 | Kd | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL |
| Q2M2I8 | AAK1 | Homo sapiens | Human | PF00069 | 7.7 | Kd | ChEMBL |
| Q6ZSR9 | Homo sapiens | Human | PF15282 | 7.7 | Kd | ChEMBL | |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 7.5 | Kd | ChEMBL |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 7.4 | Kd | ChEMBL |
| P37173 | TGFBR2 | Homo sapiens | Human | PF08917 PF07714 | 7.1 | Kd | ChEMBL |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.9 | Kd | ChEMBL |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.9 | Kd | ChEMBL |
| Q13873 | BMPR2 | Homo sapiens | Human | PF01064 PF00069 | 6.8 | Kd | ChEMBL |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.7 | Kd | ChEMBL |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 6.7 | Kd | ChEMBL |
| Q16584 | MAP3K11 | Homo sapiens | Human | PF07714 PF14604 | 6.6 | Kd | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.5 | Kd | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.5 | Kd | ChEMBL |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL |
| P18074 | ERCC2 | Homo sapiens | Human | PF06733 PF06777 PF13307 | 6.3 | Kd | ChEMBL |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL |
| Q13163 | MAP2K5 | Homo sapiens | Human | PF00564 PF00069 | 6.3 | Kd | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL |
| O14578 | CIT | Homo sapiens | Human | PF00780 PF00169 PF00069 PF00433 | 6.1 | Kd | ChEMBL |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL |
| Q14004 | CDK13 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL |