General Information of the Compound
Compound ID
CP0036705
Compound Name
(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
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Synonyms
(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
17-Hydroxy-(17-beta)-androst-4-en-3-one
17-Hydroxy-(17beta)-androst-4-en-3-one
17-Hydroxy-4-androsten-3-one
17-beta-Hydroxy-delta(sup 4)-androsten-3-one
17-beta-Hydroxyandrost-4-en-3-one
17b-hydroxy-4-androsten-3-one
17beta-Hydroxy-3-oxo-4-androstene
17beta-Hydroxy-4-androsten-3-one
17beta-Hydroxy-delta(sup4)-androsten-3-one
17beta-Hydroxyandrost-4-en-3-one
17beta-Hydroxyandrost-4-ene-3-one
4-Androsten-17-ol-3-one
4-Androsten-17beta-ol-3-one
4-androstene-17beta-ol-3-one
7-beta-Hydroxyandrost-4-en-3-one
AA 2500
Andro 100
AndroGel
Androderm
Androderm (TN)
Androgel (TN)
Androlin
Andronaq
Andronate 100
Andronate 200
Andropatch
Andropository 200
Androsorb
Androst-4-en-17beta-ol-3-one
Andrusol
Andryl 200
Beta testosterone
CDB 111C
CMC_13449
COL 1621
CP 601B
Cristerona T
Cristerone T
Delta(sup 4)-Androsten-17(beta)-ol-3-one
Delta4-Androsten-17beta-ol-3-one
Delta4-androsten-17b-ol-3-one
Depotest
Everone 200
Geno-cristaux gremy
Halotensin
Homosteron
Homosterone
Intrinsa
LibiGel
Malerone
Malestrone (amps)
Malogen in Oil
Malogen, aquaspension injection
Mertestate
Neo-Hombreol F
Neo-testis
Neotestis
Oreton
Oreton F
Oreton-F
Orquisteron
Perandren
Percutacrine androgenique
Primotest
Primoteston
Relibra
Scheinpharm Testone-Cyp
Striant
Striant (TN)
Sustanon
Sustanone
Sustason 250
Synandrol F
T-Cypionate
Teslen
Testamone 100
Testandrone
Testaqua
Testiculosterone
Testim
Testim (TN)
Testobase
Testoderm
Testoderm Tts
Testogel
Testoject-50
Testolin
Testopel Pellets
Testopropon
Testosteroid
Testosteron
Testosterona
Testosterona [INN-Spanish]
Testosterone
Testosterone (JAN/USP)
Testosterone [Androgenic steroids, anabolic]
Testosterone [INN:BAN]
Testosterone and its esters
Testosterone hydrate
Testosterone solution
Testosteronum
Testosteronum [INN-Latin]
Testostosterone
Testoviron
Testoviron Schering
Testoviron T
Testred Cypionate 200
Testrin-P.A
Testro AQ
Testrone
Testryl
Trans-Testosterone
Virilon IM
Virormone
Virosterone
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Structure
Formula
C19H28O2
Molecular Weight
288.431
Canonical SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
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InChI
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
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InChIKey
MUMGGOZAMZWBJJ-DYKIIFRCSA-N
CAS
58-22-0
Physicochemical Property
logP
3.8792
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 6013
SID: 14873306
ChEMBL ID
CHEMBL386630
DrugBank ID
DB00624
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 1.1 nM
   TI
   LI
   LO
   TS
CL000257 MDA-kb2 Homo sapiens (Human)  1
1
EC50 = 3.162 nM
   TI
   LI
   LO
   TS
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  3
1
IC50 = 4.17 nM
   TI
   LI
   LO
   TS
2
IC50 = 4.27 nM
   TI
   LI
   LO
   TS
3
IC50 = 4.571 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 1.9 nM
2 IC50 = 2.7 nM
3 IC50 = 30 nM
4 Kd = 0.4 nM
5 Ki = 29 nM
Protein ID: PT01577, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 1.995 nM
   TI
   LI
   LO
   TS
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 18300 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 730.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000162 HeLa S3 Homo sapiens (Human)  2
1
IC50 = 3206 nM
   TI
   LI
   LO
   TS
2
Ki = 1457 nM
   TI
   LI
   LO
   TS
Protein ID: PT06135, Solute carrier organic anion transporter family member 1A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 5400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Testosterone )
Drug Name Testosterone
Company Ardana Bioscience
Indication
Osteoporosis
Approved
Hormone deficiency
Phase 2
Male hormonal deficiency
Investigative
Target(s)
Androgen receptor (AR)
Agonist