| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2006 | 27 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.28 | 0.64 | -38.25 | 2 | 4 | 1 | 44 | 367.513 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 8.65e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 103 | 0.36 | Binding ≤ 10μM |
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 114 | 0.36 | Binding ≤ 10μM |
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 148 | 0.35 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 85 | 0.37 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 122 | 0.36 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 3 | 0.44 | Functional ≤ 10μM |
| Z50594-4-O | Mus Musculus (cluster #4 Of 9), Other | Other | 1 | 0.47 | Functional ≤ 10μM |
| Z50594-4-O | Mus Musculus (cluster #4 Of 9), Other | Other | 5 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 103.42 | 0.36 | Binding ≤ 1μM |
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 230 | 0.34 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 122.2 | 0.36 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.1 | 0.52 | Binding ≤ 1μM |
| OPRM_MOUSE | P42866 | Mu Opioid Receptor, Mouse | 0.15 | 0.51 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 103.42 | 0.36 | Binding ≤ 10μM |
| OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 230 | 0.34 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 122.2 | 0.36 | Binding ≤ 10μM |
| OPRM_MOUSE | P42866 | Mu Opioid Receptor, Mouse | 0.15 | 0.51 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.1 | 0.52 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 2.58 | 0.45 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 4.87 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
