CHEMBL3617470
SMILES | CCC(=O)N(c1ccccc1)C1CCN(Cc2cccc3c2CCC[C@H]3NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 |
InChIKey | ZDSCNXMYLDWNIC-KYOPYDKYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 7 |
Rotatable bonds | 20 |
Molecular weight (Da) | 900.5 |
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 |
μ | OPRM | Rat | Opioid | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.47 | 7.47 | 7.47 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 8.89 | 8.89 | 8.89 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 7.14 | 7.14 | 7.14 | ChEMBL |