| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 24 | No |
Popular Name: (1R,3R)-1-[(allyl-methyl-amino)methyl]-3-cyclohexyl-isochroman-5,6-diol (1R,3R)-1-[(allyl-methyl-amino)m…
| 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) | 4.06 | 7.48 | -41.87 | 3 | 4 | 1 | 54 | 332.464 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | 5 | -7.78 | 2 | 4 | 0 | 53 | 331.456 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3190 | 0.32 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 650 | 0.36 | Functional ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 2600 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 3190 | 0.32 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 2600 | 0.33 | Binding ≤ 10μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 650 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events |
