| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 33 | Yes |
Popular Name: N-[(1R)-1-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]benzamide N-[(1R)-1-benzyl-2-(6,7-dimethox…
| 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) | 3.29 | 10.7 | -12.83 | 1 | 6 | 0 | 68 | 444.531 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX2R-1-E | Orexin Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 900 | 0.26 | Binding ≤ 10μM |
| OX2R-1-E | Orexin Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 900 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX2R_HUMAN | O43614 | Orexin Receptor 2, Human | 900 | 0.26 | Binding ≤ 1μM |
| OX2R_HUMAN | O43614 | Orexin Receptor 2, Human | 900 | 0.26 | Binding ≤ 10μM |
| OX2R_HUMAN | O43614 | Orexin Receptor 2, Human | 900 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Orexin and neuropeptides FF and QRFP bind to their respective receptors |
