naloxone
| SMILES | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O |
| InChIKey | UZHSEJADLWPNLE-GRGSLBFTSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 327.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Structure pdb | 9BJK |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
GTP
| Uniprot
| Species
| Family
| Class
| Type
| Min | Avg | Max | Database
|
| A1 | AA1R | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| CCR5 | CCR5 | Mouse | Chemokine | A | pKd | 7.68 | 7.83 | 7.98 | ChEMBL |
| CCR5 | CCR5 | Mouse | Chemokine | A | pKd | 8.1 | 8.1 | 8.1 | Drug Central |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| δ | OPRD | Mouse | Opioid | A | pKd | 7.3 | 7.32 | 7.35 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 5.82 | 7.21 | 7.8 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| δ | OPRD | Human | Opioid | A | pKi | 6.0 | 7.06 | 7.77 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| δ | OPRD | Rat | Opioid | A | pKi | 5.0 | 6.22 | 7.44 | PDSP Ki database |
| δ | OPRD | Rat | Opioid | A | pKd | 8.11 | 8.11 | 8.11 | Drug Central |
| δ | OPRD | Mouse | Opioid | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| δ | OPRD | Mouse | Opioid | A | pKi | 7.59 | 7.59 | 7.59 | PDSP Ki database |
| δ | OPRD | Mouse | Opioid | A | pKd | 8.14 | 8.14 | 8.14 | Drug Central |
| δ | F1N083 | Bovine | Opioid | A | pKi | 7.53 | 7.63 | 7.73 | PDSP Ki database |
| δ | A0A286XTF2 | Guinea pig | Opioid | A | pKi | 7.7 | 7.79 | 7.87 | PDSP Ki database |
| κ | OPRK | Rat | Opioid | A | pKd | 8.35 | 8.68 | 9.0 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 7.18 | 8.01 | 8.51 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKd | 7.7 | 7.7 | 7.7 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.44 | 8.18 | 9.6 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 7.6 | 8.1 | 8.6 | Guide to Pharmacology |
| κ | OPRK | Human | Opioid | A | pKi | 7.3 | 8.31 | 8.96 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| κ | OPRK | Mouse | Opioid | A | pKd | 6.9 | 6.9 | 6.9 | ChEMBL |
| κ | OPRK | Rat | Opioid | A | pKi | 7.7 | 7.85 | 8.0 | Guide to Pharmacology |
| κ | OPRK | Rat | Opioid | A | pKi | 5.05 | 7.62 | 9.3 | PDSP Ki database |
| κ | OPRK | Rat | Opioid | A | pKd | 8.05 | 8.05 | 8.05 | Drug Central |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 8.42 | 8.42 | 8.42 | PDSP Ki database |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| μ | OPRM | Rat | Opioid | A | pKi | 8.2 | 8.6 | 8.97 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pKd | 8.3 | 8.74 | 9.4 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.45 | 8.46 | 9.64 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKd | 9.66 | 9.66 | 9.66 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.0 | 8.38 | 9.18 | PDSP Ki database |
| μ | OPRM | Human | Opioid | A | pKi | 8.9 | 8.9 | 8.9 | Guide to Pharmacology |
| μ | OPRM | Human | Opioid | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| μ | OPRM | Rat | Opioid | A | pKd | 8.55 | 8.78 | 9.0 | Guide to Pharmacology |
| μ | OPRM | Rat | Opioid | A | pKi | 5.45 | 8.09 | 9.25 | PDSP Ki database |
| μ | OPRM | Rat | Opioid | A | pKd | 8.03 | 8.03 | 8.03 | Drug Central |
| μ | OPRM | Bovine | Opioid | A | pKi | 8.09 | 8.29 | 8.48 | PDSP Ki database |
| μ | OPRM | Mouse | Opioid | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| μ | OPRM | Mouse | Opioid | A | pKd | 7.99 | 7.99 | 7.99 | ChEMBL |
| μ | OPRM | Mouse | Opioid | A | pKi | 9.17 | 9.34 | 9.51 | PDSP Ki database |
| μ | OPRM | Mouse | Opioid | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
Showing 1 to 45 of 45 entries
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
GTP
| Uniprot
| Species
| Family
| Class
| Type
| Min | Avg | Max | Database
|
| A3 | AA3R | Human | Adenosine | A | pIC50 | 8.06 | 8.06 | 8.06 | Drug Central |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.83 | 6.84 | 7.21 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pIC50 | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
| κ | OPRK | Guinea pig | Opioid | A | pIC50 | 7.3 | 7.3 | 7.3 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 6.21 | 7.08 | 8.82 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pEC50 | 8.0 | 8.09 | 8.18 | ChEMBL |
| κ | OPRK | Mouse | Opioid | A | pIC50 | 8.08 | 8.08 | 8.08 | Drug Central |
| κ | OPRK | Mouse | Opioid | A | pIC50 | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| μ | OPRM | Bovine | Opioid | A | pIC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 6.52 | 7.82 | 8.73 | ChEMBL |
| μ | OPRM | Bovine | Opioid | A | pIC50 | 8.08 | 8.08 | 8.08 | Drug Central |
| μ | OPRM | Mouse | Opioid | A | pIC50 | 7.81 | 7.81 | 7.81 | ChEMBL |
Showing 1 to 12 of 12 entries