Molecule Details
| InChIKey | OCMCHCVNRKLMAQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(2-Hydroxyethyl)-7-(propan-2-yloxymethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-12-one |
| Canonical SMILES | CC(C)OCc1ccc2c(c1)c1c3c(c4c5ccccc5[nH]c4c1n2CCO)CNC3=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.57 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16584 | MAP3K11 | Homo sapiens | Human | PF07714 PF14604 | 8.2 | IC50 | ChEMBL;BindingDB |
| P80192 | MAP3K9 | Homo sapiens | Human | PF07714 PF14604 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q02779 | MAP3K10 | Homo sapiens | Human | PF07714 PF14604 | 7.3 | IC50 | ChEMBL;BindingDB |
| P80370 | DLK1 | Homo sapiens | Human | PF00008 | 6.9 | IC50 | ChEMBL;BindingDB |