| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2006 | 23 | Yes |
Popular Name: b-Dihydrotetrabenazine b-Dihydrotetrabenazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 113627-25-1 , 164104-49-8 , 85081-18-1 , 924854-60-4 , [3466-75-9]
2h-benzo[a]quinolizin-2-ol,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-,(2r,3r,11br)-
2h-benzo[a]quinolizin-2-ol,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-,(2s,3r,11br)-
2h-benzo[a]quinolizin-2-ol,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-,(2s,3s,11bs)-
| 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) | 3.05 | 6.86 | -44.02 | 2 | 4 | 1 | 43 | 320.453 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 5.12 | -7.68 | 1 | 4 | 0 | 42 | 319.445 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VMAT2-1-E | Synaptic Vesicular Amine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4630 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VMAT2_RAT | Q01827 | Synaptic Vesicular Amine Transporter, Rat | 4630 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine Neurotransmitter Release Cycle | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Norepinephrine Neurotransmitter Release Cycle | |
| Serotonin Neurotransmitter Release Cycle |
