e-Drug3D

143

cas 58-22-0

CLASS

GENITO
ANDROGENS
TREATMENT OF HYPOGONADISM

ROUTE (list)

TRANSDERMAL BUCCAL IMPLANTATION INJECTION NASAL

PK parameters

Tmax 8 HOUR
VD 65 LITER (65 KILOGRAM)
Cl 62.4 LITER / HOUR (65 KILOGRAM)
PPB 98 PERCENT
t1/2 192 HOUR

TARGET ANDROGEN RECEPTOR

PDB
1AFS (RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE)

Ligand code = TES (link to the list of PDB complexes)

Download experimental 3D coordinates of TES with added hydrogens

MW 288.41
NB_atoms 21
XLogP 3.88
PSA 37.847
NB_HD 1
NB_HA 2
fsp3 0.84
Lipinski(0=no;1=yes) 1

FDA
NDA 080911 (pdf not found) INN (TESTOSTERONE) TESTOPEL (ENDO OPERATIONS) APPROVAL= AP YEAR= 1972
NDA 086417 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (DR REDDYS) APPROVAL= AP YEAR= 1983 DISCONTINUED
NDA 086419 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (WATSON LABS) APPROVAL= AP YEAR= 1983 DISCONTINUED
NDA 086420 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (WATSON LABS) APPROVAL= AP YEAR= 1983 DISCONTINUED
NDA 019762 (pdf not found) INN (TESTOSTERONE) TESTODERM (ALZA) APPROVAL= AP YEAR= 1993 DISCONTINUED
NDA 020489 (label) INN (TESTOSTERONE) ANDRODERM (ABBVIE) APPROVAL= AP YEAR= 1995 DISCONTINUED
NDA 020791 (pdf not found) INN (TESTOSTERONE) TESTODERM TTS (ALZA) APPROVAL= AP YEAR= 1997 DISCONTINUED
NDA 021015 (label) INN (TESTOSTERONE) ANDROGEL (BESINS HLTHCARE) APPROVAL= AP YEAR= 2000
NDA 021454 (label) INN (TESTOSTERONE) TESTIM (ENDO OPERATIONS) APPROVAL= AP YEAR= 2002
NDA 021543 (label) INN (TESTOSTERONE) STRIANT (AUXILIUM PHARMS LLC) APPROVAL= AP YEAR= 2003 DISCONTINUED
NDA 076737 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (ACTAVIS LABS UT INC) APPROVAL= AP YEAR= 2006
NDA 076744 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (STRIDES PHARMA INTL) APPROVAL= AP YEAR= 2007
NDA 022504 (label) INN (TESTOSTERONE) AXIRON (ELI LILLY AND CO) APPROVAL= AP YEAR= 2010 DISCONTINUED
NDA 021463 (label) INN (TESTOSTERONE) FORTESTA (ENDO OPERATIONS) APPROVAL= AP YEAR= 2010 DISCONTINUED
NDA 022309 (label) INN (TESTOSTERONE) ANDROGEL (BESINS HLTHCARE) APPROVAL= AP YEAR= 2011
NDA 202763 (label) INN (TESTOSTERONE) TESTOSTERONE (ANI PHARMS) APPROVAL= AP YEAR= 2012 DISCONTINUED
NDA 203098 (label) INN (TESTOSTERONE) TESTOSTERONE (PERRIGO ISRAEL) APPROVAL= AP YEAR= 2013 DISCONTINUED
NDA 204399 (label) INN (TESTOSTERONE) VOGELXO (UPSHER SMITH LABS) APPROVAL= AP YEAR= 2014
NDA 205488 (label) INN (TESTOSTERONE) NATESTO (ACERUS) APPROVAL= AP YEAR= 2014
NDA 204571 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (ACTAVIS LABS UT INC) APPROVAL= AP YEAR= 2015
NDA 204268 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (PADAGIS ISRAEL) APPROVAL= AP YEAR= 2015
NDA 205328 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (ACTAVIS LABS UT INC) APPROVAL= AP YEAR= 2017
NDA 204255 (label) INN (TESTOSTERONE) TESTOSTERONE (PADAGIS ISRAEL) APPROVAL= AP YEAR= 2017
NDA 205781 (label) INN (TESTOSTERONE) TESTOSTERONE (PADAGIS ISRAEL) APPROVAL= AP YEAR= 2017
NDA 207337 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (SANDOZ INC) APPROVAL= TA YEAR= 2017
NDA 091073 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (ACTAVIS LABS UT INC) APPROVAL= AP YEAR= 2017
NDA 208061 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (LUPIN) APPROVAL= AP YEAR= 2017
NDA 209533 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (CIPLA) APPROVAL= AP YEAR= 2018
NDA 208560 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (LUPIN) APPROVAL= AP YEAR= 2019
NDA 204570 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (ACTAVIS LABS UT INC) APPROVAL= AP YEAR= 2019
NDA 207373 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (AMNEAL) APPROVAL= AP YEAR= 2019
NDA 208620 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (ENCUBE) APPROVAL= AP YEAR= 2019
NDA 209390 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (TWI PHARMS) APPROVAL= AP YEAR= 2019 DISCONTINUED
NDA 210835 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (XIROMED) APPROVAL= AP YEAR= 2020
NDA 209181 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (APOTEX) APPROVAL= AP YEAR= 2020 DISCONTINUED
NDA 212301 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (ENCUBE) APPROVAL= AP YEAR= 2021
NDA 212882 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (ALEMBIC) APPROVAL= AP YEAR= 2021 DISCONTINUED
NDA 213922 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (ALEMBIC) APPROVAL= AP YEAR= 2021 DISCONTINUED
NDA 209836 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (TWI PHARMS) APPROVAL= AP YEAR= 2021 DISCONTINUED
NDA 212984 (pdf not found) INN (TESTOSTERONE) TESTOSTERONE (ENCUBE) APPROVAL= AP YEAR= 2021

e-Drug3D

144

cas 57-85-2

CLASS

GENITO
ANDROGENIC
RAPIDLY HYDROLYZED IN TESTOSTERONE

ROUTE (list)

INJECTION

PK parameters

MW 344.48
NB_atoms 25
XLogP 4.84
PSA 41.144
NB_HD 0
NB_HA 3
fsp3 0.82
Lipinski(0=no;1=yes) 1

FDA
NDA 080254 (pdf not found) INN (TESTOSTERONE PROPIONATE) TESTOSTERONE PROPIONATE (LILLY) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 080276 (pdf not found) INN (TESTOSTERONE PROPIONATE) TESTOSTERONE PROPIONATE (ELKINS SINN) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 083595 (pdf not found) INN (TESTOSTERONE PROPIONATE) TESTOSTERONE PROPIONATE (WATSON LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 085490 (pdf not found) INN (TESTOSTERONE PROPIONATE) TESTOSTERONE PROPIONATE (WATSON LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 089283 (pdf not found) INN (TESTOSTERONE PROPIONATE) TESTOSTERONE PROPIONATE (QUAD PHARMS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 080741 (pdf not found) INN (TESTOSTERONE PROPIONATE) TESTOSTERONE PROPIONATE (BEL MAR) APPROVAL= AP YEAR= 1973 DISCONTINUED
NDA 080742 (pdf not found) INN (TESTOSTERONE PROPIONATE) TESTOSTERONE PROPIONATE (BEL MAR) APPROVAL= AP YEAR= 1973 DISCONTINUED
NDA 080743 (pdf not found) INN (TESTOSTERONE PROPIONATE) TESTOSTERONE PROPIONATE (BEL MAR) APPROVAL= AP YEAR= 1973 DISCONTINUED
NDA 080188 (pdf not found) INN (TESTOSTERONE PROPIONATE) TESTOSTERONE PROPIONATE (WATSON LABS) APPROVAL= AP YEAR= 1974 DISCONTINUED

e-Drug3D

1334

cas 315-37-7

CLASS

HORMONES
ANDROGENIC
HYDROLYSED BY ESTERASES

ROUTE (list)

INJECTION SUBCUTANEOUS

PK parameters

MW 400.58
NB_atoms 29
XLogP 6.40
PSA 41.545
NB_HD 0
NB_HA 3
fsp3 0.85
Lipinski(0=no;1=yes) 0

FDA
NDA 083667 (pdf not found) INN (TESTOSTERONE ENANTHATE) TESTOSTERONE ENANTHATE (WATSON LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 085599 (pdf not found) INN (TESTOSTERONE ENANTHATE) TESTOSTERONE ENANTHATE (WATSON LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 085860 (pdf not found) INN (ESTRADIOL VALERATE ; TESTOSTERONE ENANTHATE) TESTOSTERONE ENANTHATE AND ESTRADIOL VALERATE (WATSON LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 089324 (pdf not found) INN (TESTOSTERONE ENANTHATE) TESTOSTERONE ENANTHATE (QUAD PHARMS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 089325 (pdf not found) INN (TESTOSTERONE ENANTHATE) TESTOSTERONE ENANTHATE (QUAD PHARMS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 009165 (label) INN (TESTOSTERONE ENANTHATE) DELATESTRYL (ENDO PHARMS) APPROVAL= AP YEAR= 1953 DISCONTINUED
NDA 085598 (pdf not found) INN (TESTOSTERONE ENANTHATE) TESTOSTERONE ENANTHATE (WATSON PHARMS INC) APPROVAL= AP YEAR= 1980 DISCONTINUED
NDA 085865 (pdf not found) INN (ESTRADIOL VALERATE ; TESTOSTERONE ENANTHATE) TESTOSTERONE ENANTHATE AND ESTRADIOL VALERATE (WATSON LABS) APPROVAL= AP YEAR= 1981 DISCONTINUED
NDA 086423 (pdf not found) INN (ESTRADIOL VALERATE ; TESTOSTERONE ENANTHATE) DITATE-DS (SAVAGE LABS) APPROVAL= AP YEAR= 1982 DISCONTINUED
NDA 040575 (pdf not found) INN (TESTOSTERONE ENANTHATE) TESTOSTERONE ENANTHATE (NEXUS) APPROVAL= AP YEAR= 2006
NDA 040647 (pdf not found) INN (TESTOSTERONE ENANTHATE) TESTOSTERONE ENANTHATE (RISING) APPROVAL= AP YEAR= 2009 DISCONTINUED
NDA 091120 (pdf not found) INN (TESTOSTERONE ENANTHATE) TESTOSTERONE ENANTHATE (HIKMA FARMACEUTICA) APPROVAL= AP YEAR= 2012
NDA 209863 (label) INN (TESTOSTERONE ENANTHATE) XYOSTED AUTOINJECTOR (ANTARES PHARMA INC) APPROVAL= AP YEAR= 2018
NDA 212659 (pdf not found) INN (TESTOSTERONE ENANTHATE) TESTOSTERONE ENANTHATE (EUGIA PHARMA) APPROVAL= AP YEAR= 2024

e-Drug3D

1335

cas 58-20-8

CLASS

HORMONES
ANDROGENIC
HYDROLYSED BY ESTERASES

ROUTE (list)

INJECTION INTRAMUSCULAR

PK parameters

MW 412.59
NB_atoms 30
XLogP 6.40
PSA 41.545
NB_HD 0
NB_HA 3
fsp3 0.85
Lipinski(0=no;1=yes) 0

FDA
NDA 084401 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (WATSON LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 089326 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (QUAD PHARMS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 089327 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (QUAD PHARMS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 086029 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (WATSON LABS) APPROVAL= AP YEAR= 1978 DISCONTINUED
NDA 085635 (label) INN (TESTOSTERONE CYPIONATE) DEPO-TESTOSTERONE (PFIZER) APPROVAL= AP YEAR= 1979
NDA 017968 (pdf not found) INN (ESTRADIOL CYPIONATE ; TESTOSTERONE CYPIONATE) DEPO-TESTADIOL (PHARMACIA AND UPJOHN) APPROVAL= AP YEAR= 1980 DISCONTINUED
NDA 086030 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (WATSON PHARMS INC) APPROVAL= AP YEAR= 1981 DISCONTINUED
NDA 085603 (pdf not found) INN (ESTRADIOL CYPIONATE ; TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE-ESTRADIOL CYPIONATE (WATSON LABS) APPROVAL= AP YEAR= 1986 DISCONTINUED
NDA 040530 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (PADAGIS US) APPROVAL= AP YEAR= 2005
NDA 040615 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (CAPLIN ONE LABS) APPROVAL= AP YEAR= 2006 DISCONTINUED
NDA 040652 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (RISING) APPROVAL= AP YEAR= 2006 DISCONTINUED
NDA 090387 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (HIKMA) APPROVAL= AP YEAR= 2010
NDA 091244 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (HIKMA FARMACEUTICA) APPROVAL= AP YEAR= 2012
NDA 201720 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (SUN PHARM INDS LTD) APPROVAL= AP YEAR= 2013 DISCONTINUED
NDA 207742 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (AM REGENT) APPROVAL= AP YEAR= 2017
NDA 210362 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (CIPLA) APPROVAL= AP YEAR= 2018
NDA 206368 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (WILSHIRE PHARMS INC) APPROVAL= AP YEAR= 2019
NDA 216318 (label) INN (TESTOSTERONE CYPIONATE) AZMIRO (AZURITY) APPROVAL= AP YEAR= 2022
NDA 215351 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (XIROMED) APPROVAL= AP YEAR= 2023
NDA 211817 (pdf not found) INN (TESTOSTERONE CYPIONATE) TESTOSTERONE CYPIONATE (EUGIA PHARMA) APPROVAL= AP YEAR= 2023

e-Drug3D

1718

cas 5949-44-0

CLASS

GENITO
ANDROGEN INDICATED FOR TESTOSTERONE REPLACEMENT THERAPY IN ADULT MALES
CLIVAGE BY TISSUE ESTERASES
RAPIDLY HYDROLYZED IN TESTOSTERONE

ROUTE (list)

INTRAMUSCULAR ORAL

PK parameters

MW 456.68
NB_atoms 33
XLogP 7.96
PSA 41.224
NB_HD 0
NB_HA 3
fsp3 0.87
Lipinski(0=no;1=yes) 0

FDA
NDA 022219 (label) INN (TESTOSTERONE UNDECANOATE) AVEED (ENDO OPERATIONS) APPROVAL= AP YEAR= 2014
NDA 207583 (pdf not found) INN (TESTOSTERONE UNDECANOATE) TESTOSTERONE UNDECANOATE (HIKMA PHARMACEUTICALS USA INC) APPROVAL= TA YEAR= 2016
NDA 206089 (label) INN (TESTOSTERONE UNDECANOATE) JATENZO (TOLMAR) APPROVAL= AP YEAR= 2019
NDA 208088 (label) INN (TESTOSTERONE UNDECANOATE) TLANDO (VERITY) APPROVAL= AP YEAR= 2022
NDA 213953 (label) INN (TESTOSTERONE UNDECANOATE) KYZATREX (MARIUS) APPROVAL= AP YEAR= 2022

e-Drug3D

1825

cas 53-43-0

CLASS

HORMONES
TREATMENT OF MODERATE TO SEVERE DYSPAREUNIA, A SYMPTOM OF VULVAR AND VAGINAL ATROPHY, DUE TO MENOPAUSE
STEROID
IS CONVERTED INTO ACTIVE ANDROGENS AND/OR ESTROGENS

ROUTE (list)

VAGINAL

PK parameters

TARGET HYDROXYSTEROID DEHYDROGENASES
5ALPHA-REDUCTASES
AROMATASES

PDB
1Q22 (CRYSTAL STRUCTURE OF HUMAN CHOLESTEROL SULFOTRANSFERASE (SULT2B1B) IN THE PRESENCE OF DHEA AND PAP)

Ligand code = AND (link to the list of PDB complexes)

Download experimental 3D coordinates of AND with added hydrogens

MW 288.41
NB_atoms 21
XLogP 3.88
PSA 39.203
NB_HD 1
NB_HA 2
fsp3 0.84
Lipinski(0=no;1=yes) 1

FDA
NDA 208470 (label) INN (PRASTERONE) INTRAROSA (MILLICENT) APPROVAL= AP YEAR= 2016