| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 24 | No |
Popular Name: (1R,3R)-3-cyclohexyl-1-[(methyl-prop-2-ynyl-amino)methyl]isochroman-5,6-diol (1R,3R)-3-cyclohexyl-1-[(methyl-…
| 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) | 3.57 | 4.98 | -9.41 | 2 | 4 | 0 | 53 | 329.44 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 7.47 | -43.24 | 3 | 4 | 1 | 54 | 330.448 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2510 | 0.33 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 38 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 2510 | 0.33 | Binding ≤ 10μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 37.6 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (s) signalling events |
