palosuran
| SMILES | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 |
| InChIKey | WYJCYXOCHXWTHG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 418.2 |
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 |
| VPAC1 | VIPR1 | Human | VIP and PACAP | B1 | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
| secretin | SCTR | Rat | Glucagon | B1 | pKi | 8.0 | 8.5 | 9.0 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| secretin | SCTR | Human | Glucagon | B1 | pEC50 | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
| VPAC1 | VIPR1 | Human | VIP and PACAP | B1 | pIC50 | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
| VPAC2 | VIPR2 | Human | VIP and PACAP | B1 | pIC50 | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
| PAC1 | PACR | Rat | VIP and PACAP | B1 | pIC50 | 4.5 | 4.5 | 4.5 | Guide to Pharmacology |
| VPAC1 | VIPR1 | Rat | VIP and PACAP | B1 | pIC50 | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| VPAC2 | VIPR2 | Rat | VIP and PACAP | B1 | pIC50 | 4.5 | 4.5 | 4.5 | Guide to Pharmacology |
| secretin | SCTR | Rat | Glucagon | B1 | pIC50 | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |