In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2009 | 21 | Yes |
Popular Name: (1S,2R)-1-cyclohexyl-3-dimethylamino-2-(4-methoxyphenyl)propan-1-ol (1S,2R)-1-cyclohexyl-3-dimethyla…
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) | 4.11 | 7.98 | -36.31 | 2 | 3 | 1 | 34 | 292.443 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.11 | 5.69 | -5.12 | 1 | 3 | 0 | 33 | 291.435 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Q9WTR4-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 220 | 0.44 | Binding ≤ 10μM |
SC6A2-2-E | Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1800 | 0.38 | Binding ≤ 10μM |
SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3500 | 0.36 | Binding ≤ 10μM |
SC6A4-3-E | Serotonin Transporter (cluster #3 Of 4), Eukaryotic | Eukaryotes | 30 | 0.50 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 640 | 0.41 | Binding ≤ 1μM |
Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 220 | 0.44 | Binding ≤ 1μM |
SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 30 | 0.50 | Binding ≤ 1μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 30 | 0.50 | Binding ≤ 1μM |
SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 3500 | 0.36 | Binding ≤ 10μM |
SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 640 | 0.41 | Binding ≤ 10μM |
Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 220 | 0.44 | Binding ≤ 10μM |
SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 1800 | 0.38 | Binding ≤ 10μM |
SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 30 | 0.50 | Binding ≤ 10μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 30 | 0.50 | Binding ≤ 10μM |
Description | Species |
---|---|
Dopamine clearance from the synaptic cleft | |
Na+/Cl- dependent neurotransmitter transporters |