Molecule Details
| InChIKey | CCRCRSXDKXZDGK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Methyl 1-methyl-4-[1-methyl-4-[3-(14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanoylamino]pyrrole-2-carbonyl]pyrrole-2-carboxylate |
| Canonical SMILES | COC(=O)c1cc(C(=O)c2cc(NC(=O)CCn3c4ccccc4c4c5c(c6c7ccccc7[nH]c6c43)C(=O)NC5)cn2C)cn1C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.3 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| 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 |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.3 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | pIC50 | TTD_MultiTarget |
| 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 |