upidosin
| SMILES | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C |
| InChIKey | DUCNHKDCVVSJLG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 511.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.6 | 9.6 | 9.6 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.5 | 7.96 | 8.41 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 8.42 | 8.42 | 8.42 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.6 | 8.71 | 8.82 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.0 | 9.16 | 9.47 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 7.62 | 7.62 | 7.62 | ChEMBL |