| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 11th, 2009 | 23 | Yes |
Popular Name: alpha-dihydrotetrabenazine alpha-dihydrotetrabenazine
Find On: PubMed — Wikipedia — Google
CAS Number: 924854-62-6
(2R,3S,11bS)-3-Isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol
| 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 | 6.95 | -40.63 | 2 | 4 | 1 | 43 | 320.453 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 4.76 | -7.46 | 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 | 2460 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VMAT2_RAT | Q01827 | Synaptic Vesicular Amine Transporter, Rat | 2460 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine Neurotransmitter Release Cycle | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Norepinephrine Neurotransmitter Release Cycle | |
| Serotonin Neurotransmitter Release Cycle |
No pre-computed analogs available. Try a structural similarity search.