L-748337
| SMILES | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 |
| InChIKey | AWIONHVPTYTSHZ-DEOSSOPVSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 497.2 |
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 |
| PAC1 | PACR | Human | VIP and PACAP | B1 | pKi | 6.8999999999999995 | 6.9 | 6.9 | Guide to Pharmacology |
| VPAC1 | VIPR1 | Human | VIP and PACAP | B1 | pKi | 9.200000000000001 | 9.2 | 9.2 | Guide to Pharmacology |
| VPAC2 | VIPR2 | Human | VIP and PACAP | B1 | pKi | 8.433333333333334 | 8.43 | 8.43 | Guide to Pharmacology |
| PAC1 | PACR | Rat | VIP and PACAP | B1 | pKi | 5.65 | 5.65 | 5.65 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| secretin | SCTR | Human | Glucagon | B1 | pIC50 | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
| PAC1 | PACR | Human | VIP and PACAP | B1 | pEC50 | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| PAC1 | PACR | Human | VIP and PACAP | B1 | pIC50 | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| VPAC1 | VIPR1 | Human | VIP and PACAP | B1 | pIC50 | 8.679999999999998 | 8.68 | 8.68 | Guide to Pharmacology |
| VPAC1 | VIPR1 | Human | VIP and PACAP | B1 | pEC50 | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| VPAC2 | VIPR2 | Human | VIP and PACAP | B1 | pEC50 | 9.72 | 9.72 | 9.72 | ChEMBL |
| VPAC2 | VIPR2 | Human | VIP and PACAP | B1 | pEC50 | 8.333333333333332 | 8.33 | 8.33 | Guide to Pharmacology |
| VPAC2 | VIPR2 | Human | VIP and PACAP | B1 | pIC50 | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| PAC1 | PACR | Rat | VIP and PACAP | B1 | pEC50 | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
| PAC1 | PACR | Rat | VIP and PACAP | B1 | pIC50 | 5.7 | 5.7 | 5.7 | Guide to Pharmacology |
| VPAC1 | VIPR1 | Rat | VIP and PACAP | B1 | pIC50 | 8.799999999999999 | 8.8 | 8.8 | Guide to Pharmacology |
| VPAC2 | VIPR2 | Rat | VIP and PACAP | B1 | pIC50 | 8.266666666666667 | 8.27 | 8.27 | Guide to Pharmacology |
| secretin | SCTR | Rat | Glucagon | B1 | pIC50 | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |