| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 33 | Yes |
Popular Name: 1-[(1S)-1-[4-(4-tert-butylphenyl)sulfonylphenyl]ethyl]-4-cyclohexyl-piperazine 1-[(1S)-1-[4-(4-tert-butylphenyl…
| 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) | 6.65 | 12.75 | -42.75 | 1 | 4 | 1 | 42 | 469.715 | 6 | ↓ |
| Hi High (pH 8-9.5) | 6.65 | 10.47 | -7.78 | 0 | 4 | 0 | 41 | 468.707 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-3-E | Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 85 | 0.30 | Binding ≤ 10μM |
| ACM2-4-E | Muscarinic Acetylcholine Receptor M2 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 33 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 85 | 0.30 | Binding ≤ 1μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 33 | 0.32 | Binding ≤ 1μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 85 | 0.30 | Binding ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 33 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
