aclidinium
| SMILES | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 |
| InChIKey | ASMXXROZKSBQIH-VITNCHFBSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 484.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 10.1 | 10.15 | 10.2 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 10.0 | 10.0 | 10.0 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 9.9 | 9.9 | 9.9 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 9.25 | 9.7 | 10.15 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 9.37 | 9.73 | 10.1 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 10.1 | 10.1 | 10.1 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.99 | 7.99 | 7.99 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 10.1 | 10.15 | 10.2 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 10.1 | 10.1 | 10.1 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.36 | 9.34 | 9.9 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 9.77 | 9.84 | 9.9 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.01 | 8.01 | 8.01 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.01 | 8.01 | 8.01 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 9.85 | 9.93 | 10.0 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 9.7 | 9.7 | 9.7 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 9.8 | 9.8 | 9.8 | ChEMBL |