| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 25 | Yes |
Popular Name: 3-(2-bromophenyl)-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea 3-(2-bromophenyl)-1-[(4S,5S)-2,2…
None
| 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) | 4.40 | 8.1 | -8.2 | 2 | 5 | 0 | 60 | 405.292 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX1R-1-E | Orexin Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.39 | Binding ≤ 10μM |
| OX2R-1-E | Orexin Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1995 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX1R_HUMAN | O43613 | Orexin Receptor 1, Human | 100 | 0.39 | Binding ≤ 1μM |
| OX1R_HUMAN | O43613 | Orexin Receptor 1, Human | 100 | 0.39 | Binding ≤ 10μM |
| OX2R_HUMAN | O43614 | Orexin Receptor 2, Human | 1995.26231 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Orexin and neuropeptides FF and QRFP bind to their respective receptors |
