CHEMBL394218
| SMILES | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 |
| InChIKey | RKQFKAILJGXGRP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 505.3 |
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 |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.38 | 7.38 | 7.38 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.07 | 6.07 | 6.07 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.1 | 9.1 | 9.1 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.38 | 7.38 | 7.38 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |