| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2006 | 17 | Yes |
Popular Name: HydroxyBupropion HydroxyBupropion
Find On: PubMed — Wikipedia — Google
CAS Numbers: 192374-14-4 , 357399-43-0
| 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) | 2.75 | -2.71 | -35.02 | 3 | 3 | 1 | 46 | 256.753 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A2-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 241 | 0.55 | Binding ≤ 10μM |
| SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 630 | 0.51 | Binding ≤ 10μM |
| SC6A4-3-E | Serotonin Transporter (cluster #3 Of 4), Eukaryotic | Eukaryotes | 387 | 0.53 | Binding ≤ 10μM |
| ACHA-1-E | Acetylcholine Receptor Protein Alpha Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9400 | 0.41 | Functional ≤ 10μM |
| ACHB-1-E | Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9400 | 0.41 | Functional ≤ 10μM |
| Z104282-1-O | Acetylcholine Receptor; Alpha1/beta1/delta/gamma (cluster #1 Of 1), Other | Other | 7600 | 0.42 | Functional ≤ 10μM |
| Z104283-2-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 2), Other | Other | 3300 | 0.45 | Functional ≤ 10μM |
| Z104288-1-O | Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 1), Other | Other | 1600 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 220 | 0.55 | Binding ≤ 1μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 100 | 0.58 | Binding ≤ 1μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 387 | 0.53 | Binding ≤ 1μM |
| SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 220 | 0.55 | Binding ≤ 10μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 100 | 0.58 | Binding ≤ 10μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 387 | 0.53 | Binding ≤ 10μM |
| ACHA_HUMAN | P02708 | Acetylcholine Receptor Protein Alpha Chain, Human | 9400 | 0.41 | Functional ≤ 10μM |
| ACHB_HUMAN | P11230 | Acetylcholine Receptor Protein Beta Chain, Human | 9400 | 0.41 | Functional ≤ 10μM |
| Z104282 | Z104282 | Acetylcholine Receptor; Alpha1/beta1/delta/gamma | 7600 | 0.42 | Functional ≤ 10μM |
| Z104288 | Z104288 | Neuronal Acetylcholine Receptor; Alpha3/beta4 | 3300 | 0.45 | Functional ≤ 10μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 3300 | 0.45 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine clearance from the synaptic cleft | |
| Highly calcium permeable nicotinic acetylcholine receptors | |
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |
| Na+/Cl- dependent neurotransmitter transporters |
