| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 29 | Yes |
Popular Name: 5-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline 5-[4-[(3-phenylphenyl)methyl]pip…
| 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) | 5.42 | 12.11 | -5.35 | 1 | 3 | 0 | 19 | 383.539 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.42 | 14.78 | -95.7 | 3 | 3 | 2 | 24 | 385.555 | 4 | ↓ |
| 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 | 85 | 0.34 | Binding ≤ 10μM |
| DRD2-9-E | Dopamine D2 Receptor (cluster #9 Of 24), Eukaryotic | Eukaryotes | 4 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 4 | 0.41 | Binding ≤ 1μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 85 | 0.34 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 4 | 0.41 | Binding ≤ 10μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 85 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| Serotonin receptors |
