| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2009 | 22 | Yes |
Popular Name: (R)-(3-chlorophenyl)-[(2S)-1-[(1R)-1-phenylpropyl]azetidin-2-yl]methanamine (R)-(3-chlorophenyl)-[(2S)-1-[(1…
| 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) | 2.69 | 6.92 | -54.2 | 3 | 2 | 1 | 31 | 315.868 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 6.59 | -4.56 | 2 | 2 | 0 | 29 | 314.86 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 9.25 | -127.64 | 4 | 2 | 2 | 32 | 316.876 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 7718 | 0.33 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7217 | 0.33 | Binding ≤ 10μM |
| OPRX-1-E | Nociceptin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 94 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRX_HUMAN | P41146 | Nociceptin Receptor, Human | 94 | 0.45 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 7718 | 0.33 | Binding ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 7217 | 0.33 | Binding ≤ 10μM |
| OPRX_HUMAN | P41146 | Nociceptin Receptor, Human | 94 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
