CHEMBL1172244
SMILES | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
InChIKey | WVNNVFIQARDNCG-SXACLTSNSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 14 |
Rotatable bonds | 39 |
Molecular weight (Da) | 1380.7 |
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 |
CCK2 | GASR | Human | Cholecystokinin | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 5.91 | 5.91 | 5.91 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.14 | 6.14 | 6.14 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 6.9 | 6.9 | 6.9 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 5.6 | 5.6 | 5.6 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.4 | 6.44 | 6.47 | ChEMBL |