TESTOSTERONE PROPIONATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII WI93Z9138A
EPA CompTox DTXSID9036515
Parent Compound: TESTOSTERONE

Structure

InChI Key PDMMFKSKQVNJMI-BLQWBTBKSA-N
Smiles CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32O3
Molecular Weight 344.5
AlogP 4.84
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 43.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Bioactivity

Mechanism of Action Action Reference
Androgen Receptor agonist AGONIST PubMed PubMed PubMed PubMed PubMed PubMed
Protein: Androgen Receptor
Description: Androgen receptor
Organism : Homo sapiens
P10275 ENSG00000169083
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 17 Cytochrome P450 family 17A Cytochrome P450 17A1
- 56 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
3 18 - 0 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 121
Assay Description Organism Bioactivity Reference
In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escherichia coli or P450c17-LNCaP cells as the enzyme source. None 56.0 nM
Inhibition of LH secretion in sc dosed castrated Sprague-Dawley rat Rattus norvegicus 0.26 mg kg-1
Displacement of [3H]DHT from human androgen receptor in MDA453 cells Homo sapiens 0.25 nM
Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay None 2.8 nM
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 121.04 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 133.54 %
Displacement of [3H]mibolerone from human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting analysis Homo sapiens 18.0 nM

Cross References

Resources Reference
ChEBI 9466
ChEMBL CHEMBL1170
DrugBank DB01420
DrugCentral 4146
FDA SRS WI93Z9138A
Human Metabolome Database HMDB0015489
Guide to Pharmacology 7100
KEGG C08158
PharmGKB PA164751373
PubChem 5995
SureChEMBL SCHEMBL4044
ZINC ZINC000000490791
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