Molecule Details
| InChIKey | YPDLMDMBCACZDE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 25-(Hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione |
| Canonical SMILES | O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1C(CO)CC3 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.71 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 7.8 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.7 | pIC50 | TTD_MultiTarget |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| P22612 | PRKACG | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |