DOXAZOSIN

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Synonyms
Status
Molecule Category Free-form
ATC C02CA04
UNII NW1291F1W8
EPA CompTox DTXSID7022964

Structure

InChI Key RUZYUOTYCVRMRZ-UHFFFAOYSA-N
Smiles COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC
InChI
InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H25N5O5
Molecular Weight 451.48
AlogP 1.72
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 112.27
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 588.84 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 0.74 0.309-25.7 0.3236-729 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - -13-102
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -17.3-45.8
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 85.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - 25.7-75.86 - -
Homo sapiens
- 588.84 - 0.3236-729 -17.3-102
Rattus norvegicus
- 0.74 0.309-2.042 - -

Related Entries

Cross References

Resources Reference
ChEBI 4708
ChEMBL CHEMBL707
DrugBank DB00590
DrugCentral 954
FDA SRS NW1291F1W8
Human Metabolome Database HMDB0014728
Guide to Pharmacology 7170
KEGG C06970
PharmGKB PA449407
PubChem 3157
SureChEMBL SCHEMBL34111
CONTENTS