ALCURONIUM
SMILES | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 |
InChIKey | MUQUYTSLDVKIOF-CHJKCJHBSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 666.4 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 8.16 | 8.16 | 8.16 | Drug Central |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKd | 8.24 | 8.24 | 8.24 | Drug Central |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 8.3 | 8.3 | 8.3 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M2 | ACM2 | Pig | Acetylcholine (muscarinic) | A | pEC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
M2 | ACM2 | Pig | Acetylcholine (muscarinic) | A | pEC50 | 8.06 | 8.06 | 8.06 | Drug Central |