CHEMBL3361433
SMILES | N=C(N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 |
InChIKey | RGNAMSRVPXMXMY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 443.3 |
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 |
NPFF1 | NPFF1 | Human | Neuropeptide FF/neuropeptide AF | A | pKi | 6.95 | 6.95 | 6.95 | ChEMBL |
NPFF2 | NPFF2 | Human | Neuropeptide FF/neuropeptide AF | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.83 | 5.83 | 5.83 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.58 | 5.58 | 5.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NPFF1 | NPFF1 | Human | Neuropeptide FF/neuropeptide AF | A | pEC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
NPFF2 | NPFF2 | Human | Neuropeptide FF/neuropeptide AF | A | pEC50 | 6.19 | 6.19 | 6.19 | ChEMBL |