| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 38 | 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) | 4.38 | 12.51 | -57.95 | 2 | 7 | 1 | 70 | 517.646 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.38 | 11.02 | -19.06 | 1 | 7 | 0 | 69 | 516.638 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX1R-1-E | Orexin Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 129 | 0.25 | Binding ≤ 10μM |
| OX2R-1-E | Orexin Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1098 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX1R_HUMAN | O43613 | Orexin Receptor 1, Human | 129 | 0.25 | Binding ≤ 1μM |
| OX1R_HUMAN | O43613 | Orexin Receptor 1, Human | 129 | 0.25 | Binding ≤ 10μM |
| OX2R_HUMAN | O43614 | Orexin Receptor 2, Human | 1098 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Orexin and neuropeptides FF and QRFP bind to their respective receptors |
