| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 29 | Yes |
Popular Name: 1-phenyl-8-[(1S,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one 1-phenyl-8-[(1S,2R)-2-phenylcycl…
| 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) | 4.95 | 11.43 | -31.11 | 2 | 4 | 1 | 37 | 390.551 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.95 | 9.56 | -5.39 | 1 | 4 | 0 | 36 | 389.543 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 150 | 0.33 | Binding ≤ 10μM |
| OPRX-1-E | Nociceptin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6000 | 0.25 | Binding ≤ 10μM |
| SC6A9-1-E | Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 26 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A9_HUMAN | P48067 | Glycine Transporter 1, Human | 26 | 0.37 | Binding ≤ 1μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 150 | 0.33 | Binding ≤ 1μM |
| SC6A9_HUMAN | P48067 | Glycine Transporter 1, Human | 26 | 0.37 | Binding ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 150 | 0.33 | Binding ≤ 10μM |
| OPRX_HUMAN | P41146 | Nociceptin Receptor, Human | 6000 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
