| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 27 | Yes |
Popular Name: (1S,5R)-8-(2-aminoethyl)-N-[bis(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-8-(2-aminoethyl)-N-[bis(…
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| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | 3.20 | 8.52 | -38.58 | 4 | 3 | 1 | 42 | 372.483 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 8.91 | -121.09 | 5 | 3 | 2 | 44 | 373.491 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 7.66 | -110.06 | 5 | 3 | 2 | 47 | 373.491 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.20 | 9.82 | -221.3 | 6 | 3 | 3 | 49 | 374.499 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-2-E | Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 2110 | 0.29 | Binding ≤ 10μM |
| SC6A2-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3550 | 0.28 | Binding ≤ 10μM |
| SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 13 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 12.5 | 0.41 | Binding ≤ 1μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 12.5 | 0.41 | Binding ≤ 1μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 12.5 | 0.41 | Binding ≤ 10μM |
| SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 12.5 | 0.41 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 2110 | 0.29 | Binding ≤ 10μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 3550 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine clearance from the synaptic cleft | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors | |
| Na+/Cl- dependent neurotransmitter transporters |
