| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 23 | Yes |
Popular Name: [(1S,3R,4S,5R)-4-(dimethylcarbamoyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] [(1S,3R,4S,5R)-4-(dimethylcarbam…
| 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) | 1.91 | 9.09 | -42.04 | 1 | 5 | 1 | 51 | 317.409 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 6.76 | -8.51 | 0 | 5 | 0 | 50 | 316.401 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9WTR4-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7329 | 0.31 | Binding ≤ 10μM |
| SC6A3-2-E | Dopamine Transporter (cluster #2 Of 3), Eukaryotic | Eukaryotes | 127 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 127 | 0.42 | Binding ≤ 1μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 127 | 0.42 | Binding ≤ 10μM |
| Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 7329 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine clearance from the synaptic cleft | |
| Na+/Cl- dependent neurotransmitter transporters |
