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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200436
CHEMBL1200436
Compound Name OXANDROLONE
ChEMBL Synonyms ANAVAR | OXANDRIN | OXANDROLONE | SC 11585
Max Phase 4 (Approved)
Trade Names ANAVAR | OXANDRIN | OXANDROLONE
Molecular Formula C19H30O3

Additional synonyms for CHEMBL1200436 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@] ...
Download SMILES
Standard InChI InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6- ...
Download InChI
Standard InChI Key QSLJIVKCVHQPLV-PEMPUTJUSA-N

Sources

  • British National Formulary
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1200436

Molecule Features

CHEMBL1200436 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Androgen Receptor agonist Androgen Receptor DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Fanconi AnemiaD005199Orphanet:84Fanconi anemia1ClinicalTrials
Nutrition DisordersD009748EFO:0001069nutritional disorder1ClinicalTrials
Pressure UlcerD003668EFO:0007067decubitus ulcer3ClinicalTrials
Turner SyndromeD014424Orphanet:881Turner syndrome3ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm3ClinicalTrials
Rotator Cuff InjuriesD000070636EFO:1001250rotator cuff tear2ClinicalTrials
Klinefelter SyndromeD007713EFO:1001006Klinefelter's syndrome2ClinicalTrials

Clinical Data

ClinicalTrials.gov OXANDROLONE
The Cochrane Collaboration OXANDROLONE

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 CHEMBL1200436. 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
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.998
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.982
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.957
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.925
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.884
CHEMBL208 Progesterone receptor Homo sapiens 0.835
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.767
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.731
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 0.718
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.630



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL3559 Steryl-sulfatase Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.997
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.997
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.997
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.997
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.992
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.989
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.987
CHEMBL5409 G-protein coupled bile acid receptor 1 Homo sapiens 0.979
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.976
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.905
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.895

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
306.5 306.2195 3.54 0 46.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.39 3.39 0 22 0.7

Structural Alerts

There are 1 structural alerts for CHEMBL1200436. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A14 - ANABOLIC AGENTS FOR SYSTEMIC USE
A14A - ANABOLIC STEROIDS
A14AA - Androstan derivatives
A14AA08 - oxandrolone

ChemSpider ChemSpider:QSLJIVKCVHQPLV-PEMPUTJUSA-N
DailyMed oxandrolone
Wikipedia Oxandrolone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200436



ACToR 53-39-4
ChEBI 7820
ChemicalBook CB6112482
DrugBank DB00621
DrugCentral 2011
eMolecules 2728084 32278134
EPA CompTox Dashboard DTXSID8023399
FDA SRS 7H6TM3CT4L
Guide to Pharmacology 7092
Human Metabolome Database HMDB0014759
IBM Patent System 48B04CF3BB6C7FE06E1291A298B32C57
KEGG Ligand C07346
LINCS LSM-45444
Nikkaji J1.367F
PharmGKB PA164749395
PubChem 5878
PubChem: Thomson Pharma 14776396 14751988
SureChEMBL SCHEMBL148881
ZINC ZINC000003813047

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