| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 20 | No |
Popular Name: (5S)-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol (5S)-3-methyl-5-phenyl-2,3,4,5-t…
| 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) | 2.53 | 5.53 | -46.64 | 3 | 3 | 1 | 45 | 270.352 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 3.22 | -6.49 | 2 | 3 | 0 | 44 | 269.344 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9 | 0.56 | Binding ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 7943 | 0.36 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 630 | 0.43 | Functional ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 1900 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 8.8 | 0.56 | Binding ≤ 1μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 8.8 | 0.56 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 1900 | 0.40 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.35 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 630 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events |
