| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 20th, 2009 | 24 | Yes |
Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxy-3-methyl-5-propyl-benzamide N-[[(2S)-1-ethylpyrrolidin-2-yl]…
| 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) | 3.30 | 6.42 | -43.55 | 3 | 5 | 1 | 63 | 335.468 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 7.16 | -58.44 | 2 | 5 | 0 | 66 | 334.46 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 4.09 | -11.22 | 2 | 5 | 0 | 62 | 334.46 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 150 | 0.40 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 150 | 0.40 | Binding ≤ 10μM |
| DRD4-2-E | Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 150 | 0.40 | Binding ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 150 | 0.40 | Binding ≤ 10μM |
| DRD2-17-E | Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic | Eukaryotes | 150 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 150 | 0.40 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 150 | 0.40 | Binding ≤ 1μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 150 | 0.40 | Binding ≤ 1μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 150 | 0.40 | Binding ≤ 1μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 150 | 0.40 | Binding ≤ 1μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 150 | 0.40 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 150 | 0.40 | Binding ≤ 10μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 150 | 0.40 | Binding ≤ 10μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 150 | 0.40 | Binding ≤ 10μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 150 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
