CL316243
| SMILES | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O |
| InChIKey | JEDJMKTVUPSHFW-ABAIWWIYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 421.1 |
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 |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.2 | 5.2 | 5.2 | Guide to Pharmacology |
| β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 5.9 | 5.9 | 5.9 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 4.7 | 4.7 | 4.7 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 4.1 | 4.1 | 4.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β3 | ADRB3 | Mouse | Adrenoceptors | A | pEC50 | 8.7 | 9.25 | 9.8 | Guide to Pharmacology |
| β2 | ADRB2 | Rat | Adrenoceptors | A | pIC50 | 5.01 | 5.01 | 5.01 | ChEMBL |
| β3 | ADRB3 | Rat | Adrenoceptors | A | pEC50 | 7.6 | 8.06 | 8.52 | ChEMBL |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pIC50 | 4.52 | 4.52 | 4.52 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 5.94 | 6.3 | 6.66 | ChEMBL |