TARAFENACIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LDV98UN52Y

Structure
InChI Key UXZDMXYRRQJIBJ-IBGZPJMESA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 32.78
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M3 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
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder, Overactive 2 D053201 ClinicalTrials

Related Entries

Scaffolds

Cross References

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