CHEMBL4553223
SMILES | CCCC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
InChIKey | JJHMASGARAAWFO-GOXAKLKVSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 9 |
Rotatable bonds | 26 |
Molecular weight (Da) | 896.4 |
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 |
CCK1 | CCKAR | Human | Cholecystokinin | A | pIC50 | 8.15 | 8.15 | 8.15 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pEC50 | 8.81 | 8.81 | 8.81 | ChEMBL |