| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 23 | No |
Popular Name: [4-[3-(3-fluorophenyl)prop-2-ynoxy]-1,2,5-thiadiazol-3-yl]BLAH [4-[3-(3-fluorophenyl)prop-2-yno…
| 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) | 3.55 | 6.72 | -37.56 | 1 | 4 | 1 | 39 | 328.392 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM2-1-E | Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 21 | 0.47 | Binding ≤ 10μM |
| ACM1-2-E | Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5 | 0.51 | Functional ≤ 10μM |
| ACM2-1-E | Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 683 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 21 | 0.47 | Binding ≤ 1μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 21 | 0.47 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 4.9 | 0.51 | Functional ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 683 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
