In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2009 | 29 | Yes |
Popular Name: (3S)-N,N-dimethyl-3-phenoxy-3-[4-[3-(1-piperidyl)propoxy]phenyl]propan-1-amine (3S)-N,N-dimethyl-3-phenoxy-3-[4…
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) | 5.14 | 14.63 | -82.66 | 2 | 4 | 2 | 27 | 398.591 | 11 | ↓ |
Hi High (pH 8-9.5) | 5.14 | 12.1 | -38.29 | 1 | 4 | 1 | 26 | 397.583 | 11 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.43 | Binding ≤ 10μM |
SC6A2-2-E | Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic | Eukaryotes | 201 | 0.32 | Binding ≤ 10μM |
SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.43 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.6 | 0.45 | Binding ≤ 1μM |
SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 201 | 0.32 | Binding ≤ 1μM |
SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 1 | 0.43 | Binding ≤ 1μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 0.72 | 0.44 | Binding ≤ 1μM |
HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.6 | 0.45 | Binding ≤ 10μM |
SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 201 | 0.32 | Binding ≤ 10μM |
SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 1 | 0.43 | Binding ≤ 10μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 0.72 | 0.44 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
Histamine receptors | |
Na+/Cl- dependent neurotransmitter transporters |