| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 27 | Yes |
Popular Name: N-[bis(4-fluorophenyl)methyl]-2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine N-[bis(4-fluorophenyl)methyl]-2-…
None
| 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) | 5.24 | 12.9 | -111.8 | 3 | 2 | 2 | 21 | 372.503 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.24 | 12.02 | -36.01 | 2 | 2 | 1 | 16 | 371.495 | 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 | 630 | 0.32 | Binding ≤ 10μM |
| SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 270 | 0.34 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 5), Other | Other | 7100 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 270 | 0.34 | Binding ≤ 1μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 630 | 0.32 | Binding ≤ 1μM |
| Z50597 | Z50597 | Rattus Norvegicus | 160 | 0.35 | Binding ≤ 1μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 270 | 0.34 | Binding ≤ 10μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 630 | 0.32 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 160 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine clearance from the synaptic cleft | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors | |
| Na+/Cl- dependent neurotransmitter transporters |
