CHEMBL4127485
SMILES | COc1ccc(C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(N)=O)cc1 |
InChIKey | UAJIBHYIOKBSNN-VXNXHJTFSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 9 |
Rotatable bonds | 16 |
Molecular weight (Da) | 598.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 7.15 | 7.71 | 8.28 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pIC50 | 9.33 | 9.33 | 9.33 | ChEMBL |