| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 27th, 2009 | 25 | Yes |
Popular Name: 1-[(1R)-6,7-dimethoxy-1-phenethyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone 1-[(1R)-6,7-dimethoxy-1-phenethy…
| 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) | 3.22 | 9.7 | -11.15 | 0 | 4 | 0 | 39 | 339.435 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1B-1-E | Melatonin Receptor 1B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 76 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTR1B_HUMAN | P49286 | Melatonin Receptor 1B, Human | 76 | 0.40 | Binding ≤ 1μM |
| MTR1B_HUMAN | P49286 | Melatonin Receptor 1B, Human | 76 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
