Molecule Details
| InChIKey | ATBAETXFFCOZOY-DAXSKMNVSA-N |
|---|---|
| Compound Name | Hymenialdisine |
| Canonical SMILES | NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c(Br)cc32)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 39 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.02 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (39)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 8.2 | IC50 | ChEMBL |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.6 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| P49674 | CSNK1E | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| P78368 | CSNK1G2 | Homo sapiens | Human | PF12605 PF00069 | 7.5 | IC50 | ChEMBL |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 7.5 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.4 | IC50 | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.2 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.2 | IC50 | ChEMBL |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| Q99683 | MAP3K5 | Homo sapiens | Human | PF19039 PF20309 PF20302 PF13281 PF00069 | 6.8 | IC50 | ChEMBL |
| P27361 | MAPK3 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.3 | IC50 | ChEMBL |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.3 | IC50 | ChEMBL |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.3 | IC50 | ChEMBL |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.3 | IC50 | ChEMBL |
| P41743 | PRKCI | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 6.3 | IC50 | ChEMBL |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.3 | IC50 | ChEMBL |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.3 | IC50 | ChEMBL |
| Q05513 | PRKCZ | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 6.3 | IC50 | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.3 | IC50 | ChEMBL |
| Q15139 | PRKD1 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.3 | IC50 | ChEMBL |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.2 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.2 | IC50 | ChEMBL |
| P30279 | CCND2 | Homo sapiens | Human | PF02984 PF00134 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| O77344 | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |