AFACIFENACIN

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Synonyms
Status
Molecule Category UNKNOWN
UNII XQU62QZ74P

Structure

InChI Key IJUMFEAYOMCXAQ-UHFFFAOYSA-N
Smiles O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
InChI
InChI=1S/C27H26F3N3O2/c28-27(29,30)35-22-10-6-7-19(17-22)18-32-15-13-21(14-16-32)33-25(20-8-2-1-3-9-20)23-11-4-5-12-24(23)31-26(33)34/h1-12,17,21,25H,13-16,18H2,(H,31,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H26F3N3O2
Molecular Weight 481.52
AlogP 6.19
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 44.81
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Bioactivity

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor antagonist ANTAGONIST Other Other
Protein: Muscarinic acetylcholine receptor
Description: Muscarinic acetylcholine receptor M2
Organism : Homo sapiens
P08172 ENSG00000181072
Protein: Muscarinic acetylcholine receptor
Description: Muscarinic acetylcholine receptor M4
Organism : Homo sapiens
P08173 ENSG00000180720
Protein: Muscarinic acetylcholine receptor
Description: Muscarinic acetylcholine receptor M5
Organism : Homo sapiens
P08912 ENSG00000184984
Protein: Muscarinic acetylcholine receptor
Description: Muscarinic acetylcholine receptor M1
Organism : Homo sapiens
P11229 ENSG00000168539
Protein: Muscarinic acetylcholine receptor
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019
Protein: Sodium channel protein type XI alpha subunit
Description: Sodium channel protein type 11 subunit alpha
Organism : Homo sapiens
Q9UI33 ENSG00000168356
Protein: Sodium channel protein type X alpha subunit
Description: Sodium channel protein type 10 subunit alpha
Organism : Homo sapiens
Q9Y5Y9 ENSG00000185313

Cross References

Resources Reference
ChEMBL CHEMBL3545165
FDA SRS XQU62QZ74P
PubChem 42647276
SureChEMBL SCHEMBL1192029
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