ACPT-I
SMILES | OC(=O)[C@@H]1C[C@](C[C@@H]1C(=O)O)(N)C(=O)O |
InChIKey | FERIKTBTNCSGJS-KIGHRTHISA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 217.1 |
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 | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 9.6 | 9.65 | 9.7 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
μ | OPRM | Mouse | Opioid | A | pKi | 10.1 | 10.1 | 10.1 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKd | 10.54 | 10.54 | 10.54 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.16 | 9.65 | 10.7 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.48 | 9.76 | 10.15 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.1 | 9.64 | 10.15 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 9.23 | 9.39 | 9.64 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 9.7 | 10.35 | 11.0 | PDSP Ki database |
κ | OPRK | Guinea pig | Opioid | A | pKi | 9.4 | 9.4 | 9.4 | PDSP Ki database |
δ | A0A286XTF2 | Guinea pig | Opioid | A | pKi | 9.52 | 9.52 | 9.52 | PDSP Ki database |
μ | OPRM | Mouse | Opioid | A | pKi | 9.92 | 10.22 | 10.52 | PDSP Ki database |
μ | OPRM | Rat | Opioid | A | pKi | 5.0 | 7.87 | 9.3 | PDSP Ki database |
κ | OPRK | Rat | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 9.64 | 9.64 | 9.64 | ChEMBL |
κ | OPRK | Rat | Opioid | A | pKd | 10.3 | 10.39 | 10.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Bovine | Opioid | A | pIC50 | 8.85 | 8.85 | 8.85 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 9.17 | 9.17 | 9.17 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pIC50 | 8.74 | 8.74 | 8.74 | ChEMBL |