Glaxo-11p
SMILES | O=C(NC1C(=O)N(c2ccccc2)c2c(N(C1=O)CC(=O)N(c1ccc(cc1)N(C)C)C(C)C)cccc2)Nc1ccccc1 |
InChIKey | GESRVUYUMYPJBC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 604.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pIC50 | 7.2 | 7.2 | 7.2 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pIC50 | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |