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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL707
CHEMBL707
Compound Name DOXAZOSIN
ChEMBL Synonyms CASCOR | OXANDOSIN XL | RAPORSIN XL | CARDURA XL | COLIXIL XL | DOXADURA | UK-33274-27 | UK-33,274-27 | CARDURA | LARBEX XL | CARDOZIN XL | DOXAZOSIN | Cardura | SLOCINX XL | DOXZOGEN XL | DOXAZOSIN MESILATE | DOXAZOSIN MESYLATE
Max Phase 4 (Approved)
Trade Names CASCOR | OXANDOSIN XL | CARDOZIN XL | LARBEX XL | RAPORSIN XL | DOXZOGEN XL | SLOCINX XL | COLIXIL XL | DOXADURA | DOXAZOSIN MESYLATE | CARDURA | CARDURA XL
Molecular Formula C23H25N5O5

Additional synonyms for CHEMBL707 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4
Standard InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26 ...
Download InChI
Standard InChI Key RUZYUOTYCVRMRZ-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL707

Molecule Features

CHEMBL707 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Adrenergic receptor alpha-1 antagonist Adrenergic receptor alpha-1 DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AlcoholismD000437EFO:0003829alcohol dependence2ClinicalTrials
HypertensionD006973EFO:0000537hypertension4ATC
ClinicalTrials
Kidney CalculiD007669EFO:0003845kidney stone3ClinicalTrials
Heart DiseasesD006331EFO:0003777heart disease2ClinicalTrials
Prostatic HyperplasiaD011470EFO:0000284benign prostatic hyperplasia3ClinicalTrials
Vascular DiseasesD014652EFO:0004264vascular disease2ClinicalTrials
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
Stress Disorders, Post-TraumaticD013313EFO:0001358post-traumatic stress disorder2ClinicalTrials
Substance-Related DisordersD019966EFO:0003890drug dependence1ClinicalTrials
Erectile DysfunctionD007172EFO:0004234erectile dysfunction1ClinicalTrials
Tobacco Use DisorderD014029EFO:0003768nicotine dependence2ClinicalTrials

Clinical Data

ClinicalTrials.gov DOXAZOSIN
The Cochrane Collaboration DOXAZOSIN

Metabolites for CHEMBL707

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Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL707. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.999
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.995
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.906
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.807
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.580
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.265
CHEMBL2414 C-C chemokine receptor type 4 Homo sapiens 0.247



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.994
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.993
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.982
CHEMBL6032 Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens 0.887
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.749
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.744
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.406

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
451.5 451.1856 1.72 4 112.27 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 1 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.52 2.85 2.79 3 33 0.63

Structural Alerts

There are 1 structural alerts for CHEMBL707. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C02 - ANTIHYPERTENSIVES
C02C - ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
C02CA - Alpha-adrenoreceptor antagonists
C02CA04 - doxazosin

ChemSpider ChemSpider:RUZYUOTYCVRMRZ-UHFFFAOYSA-N
DailyMed doxazosin mesylate
PubChem SID: 124883384 SID: 50105246 SID: 90341261
Wikipedia Doxazosin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL707



ACToR 74191-85-8
BindingDB 86731
ChEBI 4708
DrugBank DB00590
DrugCentral 954
eMolecules 537813
EPA CompTox Dashboard DTXSID7022964
Guide to Pharmacology 7170
Human Metabolome Database HMDB0014728
IBM Patent System 6F723629C0E72FCE90A33FBCB4876433
KEGG Ligand C06970
LINCS LSM-4335
Mcule MCULE-6153348827
MolPort MolPort-001-684-491
NIH Clinical Collection SAM002589981
Nikkaji J21.371C
PharmGKB PA449407
PubChem 3157
PubChem: Thomson Pharma 14784191
SureChEMBL SCHEMBL34111

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RUZYUOTYCVRMRZ-UHFFFAOYSA-N spacer
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