| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2011 | 23 | Yes |
Popular Name: (2R,7R,9aS)-2-tert-butyl-7-(2,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol (2R,7R,9aS)-2-tert-butyl-7-(2,4-…
| 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) | 5.14 | 9.82 | -39.17 | 2 | 2 | 1 | 25 | 357.345 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 740 | 0.37 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 740 | 0.37 | Binding ≤ 10μM |
| DRD4-3-E | Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 740 | 0.37 | Binding ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 740 | 0.37 | Binding ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 740 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 28 | 0.46 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 28 | 0.46 | Binding ≤ 1μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 28 | 0.46 | Binding ≤ 1μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 28 | 0.46 | Binding ≤ 1μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 28 | 0.46 | Binding ≤ 1μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 28 | 0.46 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 28 | 0.46 | Binding ≤ 10μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 28 | 0.46 | Binding ≤ 10μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 28 | 0.46 | Binding ≤ 10μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 28 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
