| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 8th, 2006 | 29 | Yes |
Popular Name: 2-[[4-(2-furylmethyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[4-(2-furylmethyl)-5-(2-methy…
| 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) | 3.74 | 2.27 | -15.17 | 1 | 7 | 0 | 86 | 408.483 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX1R-1-E | Orexin Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2512 | 0.27 | Functional ≤ 10μM |
| OX2R-1-E | Orexin Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 50 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OX1R_HUMAN | O43613 | Orexin Receptor 1, Human | 2511.88643 | 0.27 | Functional ≤ 10μM |
| OX2R_HUMAN | O43614 | Orexin Receptor 2, Human | 50.1187234 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Orexin and neuropeptides FF and QRFP bind to their respective receptors |
