| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 26 | Yes |
Popular Name: 3-(2,4-dibromophenyl)-1-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-urea 3-(2,4-dibromophenyl)-1-(2,2-dim…
| 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) | 5.19 | -3.47 | -5.9 | 2 | 5 | 0 | 59 | 484.188 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX1R-1-E | Orexin Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.45 | Binding ≤ 10μM |
| OX2R-1-E | Orexin Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3162 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX1R_HUMAN | O43613 | Orexin Receptor 1, Human | 5.01187234 | 0.45 | Binding ≤ 1μM |
| OX1R_HUMAN | O43613 | Orexin Receptor 1, Human | 5.01187234 | 0.45 | Binding ≤ 10μM |
| OX2R_HUMAN | O43614 | Orexin Receptor 2, Human | 3162.27766 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Orexin and neuropeptides FF and QRFP bind to their respective receptors |
