| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 30 | Yes |
Popular Name: (3S)-3-(4-bromophenoxy)-N,N-dimethyl-3-[4-[3-(1-piperidyl)propoxy]phenyl]propan-1-amine (3S)-3-(4-bromophenoxy)-N,N-dime…
| 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) | 5.95 | 15.25 | -84.29 | 2 | 4 | 2 | 27 | 477.487 | 11 | ↓ |
| Hi High (pH 8-9.5) | 5.95 | 12.72 | -38.43 | 1 | 4 | 1 | 26 | 476.479 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2 | 0.41 | Binding ≤ 10μM |
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 1.7 | 0.41 | Binding ≤ 1μM |
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 5 | 0.39 | Binding ≤ 1μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 9 | 0.38 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 1.7 | 0.41 | Binding ≤ 10μM |
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 5 | 0.39 | Binding ≤ 10μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 9 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
