| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 28 | Yes |
Popular Name: 1-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one 1-(3-methoxyphenyl)-5-[4-(2-meth…
| 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) | 4.17 | 10.22 | -47.51 | 1 | 5 | 1 | 43 | 383.512 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| 5HT7R-1-E | Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 85 | 0.35 | Binding ≤ 10μM |
| DRD4-3-E | Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 43 | 0.37 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 41 | 0.37 | Binding ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 56 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 41 | 0.37 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 56 | 0.36 | Binding ≤ 1μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 43 | 0.37 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 3.5 | 0.42 | Binding ≤ 1μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 85 | 0.35 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 41 | 0.37 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 56 | 0.36 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 43 | 0.37 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 3.5 | 0.42 | Binding ≤ 10μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 85 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Serotonin receptors |
