TAN-67
SMILES | CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O |
InChIKey | LEPBHAAYNPPRRA-WMZHIEFXSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 344.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Mouse | Opioid | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pKi | 6.55 | 6.88 | 7.22 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 8.84 | 9.24 | 9.64 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 6.13 | 6.13 | 6.13 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 6.55 | 6.55 | 6.55 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 8.44 | 8.44 | 8.44 | Guide to Pharmacology |
δ | OPRD | Human | Opioid | A | pEC50 | 8.85 | 9.05 | 9.15 | ChEMBL |
MRGPRX2 | MRGX2 | Human | A orphans | A | pEC50 | 5.74 | 5.74 | 5.74 | Guide to Pharmacology |