DARIFENACIN

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Synonyms
Status
Molecule Category Free-form
ATC G04BD10
UNII APG9819VLM
EPA CompTox DTXSID2048290

Structure

InChI Key HXGBXQDTNZMWGS-RUZDIDTESA-N
Smiles NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
InChI
InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H30N2O2
Molecular Weight 426.56
AlogP 3.96
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 55.56
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 79.43 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
11-45 - 15.85-50.12 0.74-63 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
0.7943-39.81 316.23 - 15.9-180 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
1 - 15.85-50.12 - -
Homo sapiens
0.7943-45 - - 0.74-180 -
Rattus norvegicus
- - - 2.5-63 -

Cross References

Resources Reference
ChEBI 391960
ChEMBL CHEMBL1346
DrugBank DB00496
DrugCentral 784
FDA SRS APG9819VLM
Human Metabolome Database HMDB0014639
Guide to Pharmacology 321
PharmGKB PA164774901
PubChem 444031
SureChEMBL SCHEMBL56574
ZINC ZINC000001996117
CONTENTS