MCOPPB
SMILES | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 |
InChIKey | CYYNMPPFEJPBJD-OAQYLSRUSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 408.3 |
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 |
μ | OPRM | Human | Opioid | A | pKi | 8.98 | 8.98 | 8.98 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.64 | 7.64 | 7.64 | ChEMBL |
NOP | OPRX | Human | Opioid | A | pKi | 10.07 | 10.07 | 10.07 | ChEMBL |
NOP | OPRX | Human | Opioid | A | pKi | 10.07 | 10.07 | 10.07 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Human | Opioid | A | pEC50 | 7.47 | 7.47 | 7.47 | ChEMBL |
δ | OPRD | Human | Opioid | A | pEC50 | 5.33 | 5.33 | 5.33 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 7.1 | 7.1 | 7.1 | ChEMBL |
NOP | OPRX | Human | Opioid | A | pEC50 | 9.41 | 9.41 | 9.41 | ChEMBL |
NOP | OPRX | Human | Opioid | A | pEC50 | 9.41 | 9.41 | 9.41 | Guide to Pharmacology |