Molecule Details
| InChIKey | SABLEOBBNNRHAD-WNJMFGOSSA-N |
|---|---|
| Compound Name | (12S,14S,17E)-12-(hydroxymethyl)-24-oxo-15,20-dioxa-2,4,5,9,11,23-hexazahexacyclo[19.7.1.13,10.111,14.04,8.022,27]hentriaconta-1(28),3(31),5,7,9,17,21(29),22(27)-octaene-7-carbonitrile |
| Canonical SMILES | N#Cc1cnn2c3cc(nc12)N1C[C@H](C[C@H]1CO)OC/C=C/COc1cc(cc2c1NC(=O)CC2)N3 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.91 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41182 | BCL6 | Homo sapiens | Human | PF00651 PF00096 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q07820 | MCL1 | Homo sapiens | Human | PF00452 | 8.2 | Kd | ChEMBL;BindingDB |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| P67870 | CSNK2B | Homo sapiens | Human | PF01214 | 6.2 | IC50 | ChEMBL |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| Q8NEV1 | CSNK2A3 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |