SR120819A
SMILES | CN(C[C@@H]1CC[C@@H](CC1)C/N=C(/c1ccc(cc1)C[C@H](C(=O)N1CCCC1)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)cccc2)Cc1ccccc1)\N)C |
InChIKey | GKKPXBHNFVDHAQ-GWOGJWAKSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 15 |
Molecular weight (Da) | 750.4 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 6.1 | 6.1 | 6.1 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
κ | OPRK | Rat | Opioid | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 7.75 | 8.67 | 9.8 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.22 | 5.37 | 5.56 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.34 | 8.82 | 9.54 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 8.28 | 9.03 | 9.62 | PDSP Ki database |
μ | OPRM | Bovine | Opioid | A | pKi | 9.17 | 9.17 | 9.17 | PDSP Ki database |
κ | OPRK | Guinea pig | Opioid | A | pKi | 6.3 | 6.3 | 6.3 | PDSP Ki database |
μ | OPRM | Mouse | Opioid | A | pKi | 9.03 | 9.1 | 9.17 | PDSP Ki database |
δ | F1N083 | Bovine | Opioid | A | pKi | 6.3 | 6.3 | 6.3 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 5.69 | 5.69 | 5.69 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 5.29 | 5.46 | 5.63 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Mouse | Opioid | A | pIC50 | 7.44 | 7.44 | 7.44 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.55 | 7.31 | 7.58 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 7.25 | 8.79 | 9.37 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pEC50 | 6.78 | 6.88 | 6.98 | ChEMBL |
δ | OPRD | Human | Opioid | A | pEC50 | 6.03 | 6.03 | 6.03 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 7.18 | 7.84 | 8.49 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.21 | 7.68 | 7.85 | ChEMBL |