| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 31 | Yes |
Popular Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-phenyl-imidazo[1,2-a]pyridine 2-[[4-(2-methoxyphenyl)piperazin…
| 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) | 5.07 | 13.06 | -28.16 | 1 | 5 | 1 | 34 | 413.545 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.07 | 12.95 | -11.79 | 0 | 5 | 0 | 33 | 412.537 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.07 | 15.27 | -101.73 | 2 | 5 | 2 | 35 | 414.553 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.07 | 15.18 | -38.3 | 1 | 5 | 1 | 34 | 413.545 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-2-E | Dopamine D1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2900 | 0.25 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 390 | 0.29 | Binding ≤ 10μM |
| DRD4-1-E | Dopamine D4 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.41 | Binding ≤ 10μM |
| DRD2-6-E | Dopamine D2 Receptor (cluster #6 Of 24), Eukaryotic | Eukaryotes | 49 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 28 | 0.34 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 390 | 0.29 | Binding ≤ 1μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 0.84 | 0.41 | Binding ≤ 1μM |
| DRD1_PIG | P50130 | Dopamine D1 Receptor, Pig | 2900 | 0.25 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 28 | 0.34 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 390 | 0.29 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 0.84 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
