DOXAZOSIN MESYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 86P6PQK0MU
EPA CompTox DTXSID5045598
Parent Compound: DOXAZOSIN

Structure

InChI Key VJECBOKJABCYMF-UHFFFAOYSA-N
Smiles COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O
InChI
InChI=1S/C23H25N5O5.CH4O3S/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;1-5(2,3)4/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N5O8S
Molecular Weight 547.59
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

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-1 antagonist ANTAGONIST DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 5.3
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Trypanosoma cruzi
- - - - 5.3

Target Conservation

Protein: Adrenergic receptor alpha-1
Description: Alpha-1D adrenergic receptor
Organism : Homo sapiens
P25100 ENSG00000171873
Protein: Adrenergic receptor alpha-1
Description: Alpha-1A adrenergic receptor
Organism : Homo sapiens
P35348 ENSG00000120907
Protein: Adrenergic receptor alpha-1
Description: Alpha-1B adrenergic receptor
Organism : Homo sapiens
P35368 ENSG00000170214

Cross References

Resources Reference
ChEBI 4709
ChEMBL CHEMBL1200561
FDA SRS 86P6PQK0MU
Guide to Pharmacology 7170
KEGG C06970
PubChem 62978
SureChEMBL SCHEMBL42621
ZINC ZINC00896512
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