| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 26 | Yes |
Popular Name: 2-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]-3,4-dihydroisoquinolin-1-one 2-[3-[4-(2-pyridyl)piperazin-1-y…
| 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) | 1.89 | 11.79 | -96.48 | 2 | 5 | 2 | 42 | 352.482 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 9.26 | -13.63 | 0 | 5 | 0 | 40 | 350.466 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 9.56 | -34.74 | 1 | 5 | 1 | 41 | 351.474 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 11.48 | -45.54 | 1 | 5 | 1 | 41 | 351.474 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-2-E | Dopamine D1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1698 | 0.31 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8318 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 1698.24365 | 0.31 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 8317.63771 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events |
