REL-PENTAZOCINE
SMILES | CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C |
InChIKey | VOKSWYLNZZRQPF-NIKGAXFTSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 285.2 |
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 |
κ | OPRK | Guinea pig | Opioid | A | pKi | 8.44 | 8.44 | 8.44 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 6.75 | 7.03 | 7.31 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.52 | 8.59 | 8.66 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.16 | 8.29 | 8.41 | ChEMBL |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 5.46 | 5.46 | 5.46 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
μ | OPRM | Rat | Opioid | A | pKi | 7.3 | 7.56 | 7.82 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |