CHEMBL3143394
SMILES | CC(C)C[C@H](CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |
InChIKey | YXOOYMGXDFIVOI-KULMNKMISA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 7 |
Rotatable bonds | 17 |
Molecular weight (Da) | 692.4 |
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 | 4.0 | 4.0 | 4.0 | ChEMBL |