| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2010 | 32 | Yes |
Popular Name: N-benzyl-2-[(1S)-1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide N-benzyl-2-[(1S)-1-benzyl-6,7-di…
| 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) | 4.35 | 10.54 | -13.02 | 1 | 5 | 0 | 51 | 430.548 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.35 | 12.05 | -47.56 | 2 | 5 | 1 | 52 | 431.556 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX1R-1-E | Orexin Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5731 | 0.23 | Binding ≤ 10μM |
| OX2R-1-E | Orexin Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6103 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX1R_HUMAN | O43613 | Orexin Receptor 1, Human | 5731 | 0.23 | Binding ≤ 10μM |
| OX2R_HUMAN | O43614 | Orexin Receptor 2, Human | 6103 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Orexin and neuropeptides FF and QRFP bind to their respective receptors |
