Natural Product (NP) Details

General Information of the NP (ID: NP0195)
Name
Testosterone
Synonyms
testosterone; 58-22-0; Testosteron; Androderm; Testim; Testoderm; Mertestate; Virosterone; Androlin; Oreton; AndroGel; Synandrol F; Testostosterone; Andropatch; Malerone; Testogel; Testoviron; trans-Testosterone; Relibra; Cristerone T; LibiGel; 17beta-Hydroxyandrost-4-en-3-one; Oreton-F; Testoject-50; Testosterona; Testosteronum; Striant; Andro 100; Testex; Testosterone hydrate; Sustason 250; beta testosterone; Sustanon; Malestrone (amps); Testosteroid; Andronaq; Andrusol; Homosteron; Homosterone; Intrinsa; Orquisteron; Perandren; Primotest; Primoteston; Sustanone; Testandrone; Testobase; Testopropon; Testrone; Virormone; Teslen; Testryl; Testiculosterone; Malogen, aquaspension injection; Cristerona T; Testoviron T; Testosteronum [INN-Latin]; Testosterona [INN-Spanish]; Neotestis; Testoviron Schering; Geno-cristaux gremy; Neo-Hombreol F; Androst-4-en-17beta-ol-3-one; Testolin; Percutacrine androgenique; 17beta-Hydroxy-4-androsten-3-one; 7-beta-Hydroxyandrost-4-en-3-one; COL 1621; delta4-Androsten-17beta-ol-3-one; Androst-4-en-3-one, 17-hydroxy-, (17beta)-; 17beta-Hydroxyandrost-4-ene-3-one; 17-beta-Hydroxyandrost-4-en-3-one; 4-Androsten-17beta-ol-3-one; Testro AQ; 17-Hydroxy-(17beta)-androst-4-en-3-one; 17beta-Hydroxy-delta(sup4)-androsten-3-one; delta(sup 4)-Androsten-17(beta)-ol-3-one; 17-Hydroxy-(17-beta)-androst-4-en-3-one; UNII-3XMK78S47O; 17-beta-Hydroxy-delta(sup 4)-androsten-3-one; Androst-4-en-3-one, 17beta-hydroxy-; Androst-4-en-3-one, 17-beta-hydroxy-; CHEBI:17347; (17beta)-17-Hydroxyandrost-4-en-3-one; (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; Neo-testis; Testoderm Tts; 3XMK78S47O; Androst-4-en-3-one, 17-hydroxy-, (17b)-; Testopel Pellets; CDB 111C; Testosterone and its esters; Halotensin; Fortesta; Nasobol; Natesto; Vogelxo; (+)-testosterone; Axiron; Tefina; CompleoTRT; CP 601B; (8alpha,10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one; Androderm (TN); Androgel 1%; 17.beta.-Testosterone; Androgel (TN); SMR000058344; CCRIS 574; Striant (TN); Bio-T-Gel; AA 2500; Testim (TN); Androgel 1.62%; HSDB 3398; NSC 9700; Androst-4-en-3-one, 17-hydroxy-, (17.beta.)-; EINECS 200-370-5; Testosterone (JAN/USP); Androst-4-en-3-on-17B-ol; CHEMBL386630; component of Duogen (Salt/Mix); component of Tostrex (Salt/Mix); component of Di-Met (Salt/Mix); component of Intrinsa (Salt/Mix); 4-Androsten-17.beta.-ol-3-one; 4-Androsten-3-one-17.beta.-ol; Tlando; component of Di-Genik (Salt/Mix); 4-Androsten-3-one, 17b-hydroxy-; NSC-9700; Testosterone [USP:INN:BAN]; component of Mal-O-Fem (Salt/Mix); Testosterone [Androgenic steroids, anabolic]; 4-androstene-17beta-ol-3-one; Testosterone ciii; 17b-hydroxy-4-androsten-3-one; delta4-androsten-17b-ol-3-one; LPCN 1021; testosterone group; Testosterone, 1; 3kdm; 17-.beta.-Hydroxyandrost-4-en-3-one; NCGC00091018-01; Androst-4-en-3-one, 17-hydroxy-, (17-beta)-; Axiron (TN); CMC_13449; mpp10; 17.beta.-Hydroxy-.DELTA.4-androsten-3-one; 17-Hydroxyandrost-4-en-3-one, (17.beta.)-; Testosterone, >=98%; DSSTox_CID_2371; Epitope ID:135865; EC 200-370-5; Testosterone EP Impurity C; SCHEMBL8452; DSSTox_RID_76563; DSSTox_GSID_22371; MLS000563091; MLS001032098; MLS001306401; MLS001424262; MLS002174283; BIDD:ER0555; BDBM8885; GTPL2858; DTXSID8022371; 17beta-hydroxy-4-androsten-3one; Testosterone, cell culture tested; 1i37; HMS2052N11; HMS2272B03; HMS2272P03; (8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one; Tox21_200689; HY-15554A; LMST02020002; RB3046; AKOS015894897; ZINC118912393; CCG-101189; CS-1415; DB00624; MCULE-1294118086; NC00439; CAS-58-22-0; Testosterone 1.0 mg/ml in Acetonitrile; (17?)-17-Hydroxyandrost-4-en-3-one; NCGC00258243-01; AC-14899; CPD000058344; SMR001261453; Testosterone, purum, >=99.0% (HPLC); Testosterone 100 microg/mL in Acetonitrile; BIM-0061761.0001; C00535; D00075; S00309; W-5033; AB00973630-03; Testosterone, VETRANAL(TM), analytical standard; 003T654; Androst-4-en-3-one, 17-hydroxy, (17.beta.)-; Q-101251; Q1318776; B5DEE83F-632B-48A1-A0ED-A51E7F13DF2E; Testosterone, European Pharmacopoeia (EP) Reference Standard; Testosterone solution, 1.0 mg/mL in 1,2-dimethoxyethane, drug standard; Testosterone; 4-Androsten-17?-ol-3-one; 17?-Hydroxy-4-androsten-3-one; Testosterone for impurity D identification, European Pharmacopoeia (EP) Reference Standard; Testosterone for system suitability, European Pharmacopoeia (EP) Reference Standard; (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadec-6-en-5-one; 1050678-68-6; 17?-hydroxyandrost-4-en-3-one; epitestosterone; 17-epi-Testosterone; 17?-cis-Testosterone; 4-Androstene-17?-ol-3-one; Isotestosterone; Testosterone solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material
    Click to Show/Hide
Species Origin Homo sapiens ...     Click to Show/Hide
Homo sapiens
Kingdom: Metazoa
Phylum: Chordata
Class: Mammalia
Order: Primates
Family: Hominidae
Genus: Homo
Species: Homo sapiens
Disease Osteoporosis [ICD-11: FB83] Approved [1]
Structure
Click to Download Mol
2D MOL

3D MOL

ADMET Property
Absporption
Caco-2 Permeability
 -4.452
 
MDCK Permeability
 -4.704
 
PAMPA
 -
 
HIA
 - - -
 
Distribution
VDss
 -0.511
 
PPB
 80%
 
BBB
 +++
 
Metabolism
CYP1A2 inhibitor
 - - -
CYP1A2 substrate
 +++
CYP2C19 inhibitor
 - -
CYP2C19 substrate
 +++
CYP2C9 inhibitor
 - - -
CYP2C9 substrate
 +++
CYP2D6 inhibitor
 - - -
CYP2D6 substrate
 - - -
CYP3A4 inhibitor
 - - -
CYP3A4 substrate
 +
CYP2B6 inhibitor
 ++
CYP2B6 substrate
 - - -
CYP2C8 inhibitor
 -
HLM Stability
 +
 
Excretion
CLplasma
 15.996
 
T1/2
 1.255
Toxicity
DILI
 - -
 
Rat Oral Acute Toxicity
 +
 
FDAMDD
 +
 
Respiratory
 ++
 
Human Hepatotoxicity
 ++
 
Ototoxicity
 -
 
Drug-induced Nephrotoxicity
 -
 
Drug-induced Neurotoxicity
 -
 
Hematotoxicity
 -
 
Genotoxicity
 +
 
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++). 2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
    Click to Show/Hide
    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C19H28O2
PubChem CID
6013
Canonical SMILES
CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C
InChI
1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChIKey
MUMGGOZAMZWBJJ-DYKIIFRCSA-N
CAS Number
CAS 58-22-0
ChEBI ID
CHEBI:17347
Herb ID
HBIN046010
TTD Drug ID
D06XMU
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Letrozole      Breast cancer     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vivo Model A total of 48 adult (8 weeks old) male Sprague-Dawley rats with mean weight of 250-300 gr were enrolled in this study.
                    Experimental
                    Result(s)		 Both testosterone and its combination with letrozole increased lumbar and femoral BMD of orchiectomized rats, with a higher increase in lumbar BMD in O + T group.
Target and Pathway
Target(s) Androgen receptor (AR)  Molecule Info  [3]
KEGG Pathway Oocyte meiosis Click to Show/Hide
2 Pathways in cancer
3 Prostate cancer
NetPath Pathway EGFR1 Signaling Pathway Click to Show/Hide
2 AndrogenReceptor Signaling Pathway
3 FSH Signaling Pathway
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling Click to Show/Hide
2 Coregulation of Androgen receptor activity
3 Regulation of Androgen receptor activity
4 Nongenotropic Androgen signaling
5 Regulation of nuclear beta catenin signaling and target gene transcription
6 FOXA1 transcription factor network
7 Notch-mediated HES/HEY network
Reactome Nuclear Receptor transcription pathway Click to Show/Hide
2 Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3
WikiPathways SIDS Susceptibility Pathways Click to Show/Hide
2 Integrated Pancreatic Cancer Pathway
3 Prostate Cancer
4 Integrated Breast Cancer Pathway
5 Nuclear Receptors
6 Androgen receptor signaling pathway
References
Reference 1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2858).
Reference 2 The effect of testosterone itself and in combination with letrozole on bone mineral density in male rats. J Bone Miner Metab. 2019 Jul;37(4):668-675.
Reference 3 Molecular mechanism of androgen action. Trends Endocrinol Metab. 1998 Oct 1;9(8):317-24.
 Download Picture         KEGG Link