TARAFENACIN

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Synonyms
Status
Molecule Category Free-form
UNII LDV98UN52Y

Structure

InChI Key UXZDMXYRRQJIBJ-IBGZPJMESA-N
Smiles O=C(O[C@H]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1
InChI
InChI=1S/C21H20F4N2O2/c22-15-2-1-3-16(10-15)27(11-13-8-17(23)20(25)18(24)9-13)21(28)29-19-12-26-6-4-14(19)5-7-26/h1-3,8-10,14,19H,4-7,11-12H2/t19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H20F4N2O2
Molecular Weight 408.39
AlogP 4.48
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 32.78
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M3 antagonist ANTAGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 0.9-97.3 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.9-97.3 - - -

Target Conservation

Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

Resources Reference
ChEMBL CHEMBL1779046
FDA SRS LDV98UN52Y
PubChem 25147683
SureChEMBL SCHEMBL2278264
ZINC ZINC000003965738
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