DARIFENACIN

Search structure
Synonyms:
Status: Approved (2004)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G04BD10
UNII: APG9819VLM

Structure
InChI Key HXGBXQDTNZMWGS-RUZDIDTESA-N
Smile 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

Primary Target
M3 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Slow voltage-gated potassium channel accessory protein family
- 19953 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 79-1585 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 1585 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
11-45 - 16 1-1 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
1-16 316 - 16-61 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 25119 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Incontinence 4 D014549 ClinicalTrials
Urinary Bladder, Overactive 3 D053201 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 133099-04-4
ChEBI 391960
ChEMBL CHEMBL1346
DrugBank DB00496
DrugCentral 784
EPA CompTox DTXSID2048290
FDA SRS APG9819VLM
Human Metabolome Database HMDB0014639
Guide to Pharmacology 321
PharmGKB PA164774901
PubChem 444031
SureChEMBL SCHEMBL56574
ZINC ZINC000001996117
CONTENTS