| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 24 | Yes |
Popular Name: (5S)-3-allyl-9-chloro-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol (5S)-3-allyl-9-chloro-5-(4-hydro…
| 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) | 3.53 | 5.54 | -62.31 | 3 | 4 | 0 | 68 | 345.826 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 3.26 | -43.4 | 2 | 4 | -1 | 67 | 344.818 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 122 | 0.40 | Functional ≤ 10μM |
| DRD2-1-E | Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 122 | 0.40 | Functional ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 122 | 0.40 | Functional ≤ 10μM |
| DRD4-1-E | Dopamine D4 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 122 | 0.40 | Functional ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 122 | 0.40 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 122 | 0.40 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 15 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 122 | 0.40 | Functional ≤ 10μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 15 | 0.46 | Functional ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 122 | 0.40 | Functional ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 122 | 0.40 | Functional ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 122 | 0.40 | Functional ≤ 10μM |
| DRD5_HUMAN | P21918 | Dopamine D5 Receptor, Human | 122 | 0.40 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 122 | 0.40 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 15 | 0.46 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events |
