Rec 15/2615
| SMILES | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C |
| InChIKey | ZZMFJJDBKSYGRM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 495.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.8 | 8.65 | 9.5 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.35 | 9.35 | 9.35 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.99 | 7.99 | 7.99 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pIC50 | 7.76 | 7.76 | 7.76 | ChEMBL |
| α1D | ADA1D | Rat | Adrenoceptors | A | pIC50 | 7.64 | 7.64 | 7.64 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 8.92 | 8.92 | 8.92 | ChEMBL |