e-Drug3D
11
cas 53-16-7
CLASS
GENITO
ANTI-MENOPAUSAL AGENTS
ESTROGENS
OSTEOPOROSIS PROPHYLACTIC
ROUTE (list)
INJECTION
PK parameters
Tmax 4 HOUR
Solubility
SOLUBLE IN WATER
TARGET ESTROGEN RECEPTOR
PDB
3HM1 (CRYSTAL STRUCTURE OF HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE AND ESTRONE ((8R,9S,13S,14S)-3-HYDROXY-13-METHYL-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-17-ONE))
Ligand code = J3Z (link to the list of PDB complexes)
Download experimental 3D coordinates of J3Z with added hydrogens
Estrogen receptor UNIPROT P03372 ESR1
Formula:
C18H22O2
Calculated chemical properties:
MW 270.36
NB_atoms 20
XLogP 3.82
PSA 39.65
NB_HD 1
NB_HA 2
fsp3 0.61
Lipinski(0=no;1=yes) 1
NB_atoms 20
XLogP 3.82
PSA 39.65
NB_HD 1
NB_HA 2
fsp3 0.61
Lipinski(0=no;1=yes) 1
FDA
NDA 083397 (pdf not found) INN (ESTRONE) ESTRONE (WATSON LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 083488 (pdf not found) INN (ESTRONE) ESTROGENIC SUBSTANCE (WYETH AYERST) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 085237 (pdf not found) INN (ESTRONE) NATURAL ESTROGENIC SUBSTANCE-ESTRONE (WATSON LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 003977 (pdf not found) INN (ESTRONE) THEELIN (PARKEDALE) APPROVAL= AP YEAR= 1941 DISCONTINUED
NDA 085239 (pdf not found) INN (ESTRONE) ESTRONE (DR REDDYS) APPROVAL= AP YEAR= 1979 DISCONTINUED
NDA 083397 (pdf not found) INN (ESTRONE) ESTRONE (WATSON LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 083488 (pdf not found) INN (ESTRONE) ESTROGENIC SUBSTANCE (WYETH AYERST) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 085237 (pdf not found) INN (ESTRONE) NATURAL ESTROGENIC SUBSTANCE-ESTRONE (WATSON LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 003977 (pdf not found) INN (ESTRONE) THEELIN (PARKEDALE) APPROVAL= AP YEAR= 1941 DISCONTINUED
NDA 085239 (pdf not found) INN (ESTRONE) ESTRONE (DR REDDYS) APPROVAL= AP YEAR= 1979 DISCONTINUED