Molecule Details
| InChIKey | IADKHXRZAFUCSV-NSCUHMNNSA-N |
|---|---|
| Compound Name | (10E)-13-methyl-7-oxa-13,20,22,24,26,28-hexazapentacyclo[19.6.1.12,6.115,19.023,27]triaconta-1(27),2(30),3,5,10,15(29),16,18,21(28),22,24-undecaene |
| Canonical SMILES | CN1C/C=C/CCOc2cccc(c2)-c2nc(nc3[nH]cnc23)Nc2cccc(c2)C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.73 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.2 | pIC50 | TTD_MultiTarget |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.8 | pIC50 | TTD_MultiTarget |
| O15530 | PDPK1 | Homo sapiens | Human | PF14593 PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.3 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | pIC50 | TTD_MultiTarget |