| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 27 | Yes |
Popular Name: 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indolin-2-one 1-[4-[4-(4-chlorophenyl)piperazi…
| 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) | 4.19 | 12.11 | -47.72 | 1 | 4 | 1 | 28 | 384.931 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.19 | 9.81 | -8.36 | 0 | 4 | 0 | 27 | 383.923 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1204 | 0.31 | Binding ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 202 | 0.35 | Binding ≤ 10μM |
| DRD2-1-E | Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 375 | 0.33 | Functional ≤ 10μM |
| DRD2-11-E | Dopamine D2 Receptor (cluster #11 Of 24), Eukaryotic | Eukaryotes | 1747 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD5_HUMAN | P21918 | Dopamine D5 Receptor, Human | 202 | 0.35 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 1747 | 0.30 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 1204 | 0.31 | Binding ≤ 10μM |
| DRD5_HUMAN | P21918 | Dopamine D5 Receptor, Human | 202 | 0.35 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 375 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events |
