| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 24 | Yes |
Popular Name: (1R,5S)-3-[(S)-(4-fluorophenyl)-phenyl-methoxy]-8-methyl-8-azabicyclo[3.2.1]octane (1R,5S)-3-[(S)-(4-fluorophenyl)-…
| 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) | 4.43 | 12.08 | -35.18 | 1 | 2 | 1 | 14 | 326.435 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-2-E | Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
| ACM2-3-E | Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 15 | 0.46 | Binding ≤ 10μM |
| SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 32 | 0.44 | Binding ≤ 10μM |
| SC6A3-1-E | Dopamine Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 48 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 32.2 | 0.44 | Binding ≤ 1μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 1.1 | 0.52 | Binding ≤ 1μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 15 | 0.46 | Binding ≤ 1μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 32.2 | 0.44 | Binding ≤ 10μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 1.1 | 0.52 | Binding ≤ 10μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 15 | 0.46 | Binding ≤ 10μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 48 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine clearance from the synaptic cleft | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors | |
| Na+/Cl- dependent neurotransmitter transporters |
