CHEMBL5271406
SMILES | CC1(C)C(/C=C/C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccccc3C2(C)C)=[N+](CCCCCC(=O)NCCCCCCCCN2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)CC2)c2ccc(S(=O)(=O)[O-])cc21 |
InChIKey | BMNOFIWIZFZYES-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 3 |
Rotatable bonds | 27 |
Molecular weight (Da) | 1159.5 |
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 |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 9.06 | 9.06 | 9.06 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.85 | 8.97 | 9.85 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKd | 7.27 | 7.29 | 7.3 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.02 | 8.02 | 8.02 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 8.19 | 8.21 | 8.22 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 9.14 | 9.14 | 9.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.35 | 6.43 | 6.52 | ChEMBL |