BW723C86
| SMILES | CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N |
| InChIKey | ALFGDCNSEBJYSP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 286.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 4.54 | 4.54 | 4.54 | ChEMBL |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 4.2 | 4.28 | 4.35 | ChEMBL |
| β2 | ADRB2 | Dog | Adrenoceptors | A | pKi | 4.24 | 4.24 | 4.24 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.4 | 5.4 | 5.4 | ChEMBL |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pEC50 | 4.44 | 4.44 | 4.44 | ChEMBL |