Basic Information Experimental Physicochemical Property Pharmacokinetic/Toxicokinetic Property Maximum Dosage Drug Property Radar Chart

Basic Information

Drug ID DDPD00783 ...
Drug Name Estradiol
Molecular Weight 272.382
Molecular Formula C18H24O2
CAS Number 50-28-2
SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
External Links
DRUGBANK DB00783
T3DB T3D4668
PubChem Compound 5757
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Caco-2 Permeability -4.77 - -4.77 - ADME Research, USCD
Log P 4.01 - 4.01 - HANSCH,C ET AL. (1995)
Boiling Point 445.9 ℃ 445.9±45.0 ℃ DRUGBANK
Melting Point 173.0 ℃ 173 ℃ https://www.chemsrc.com/en/cas/50-28-2_757059.html
Water Solubility 3.6 mg/L 3.6 mg/L YALKOWSKY,SH & DANNENFELSER,RM 1992)
pKa 10.46 - 10.46±0.03 - Profiles of Drug Substances, Excipients and Related Methodology Volume 33

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
AUC 0.47 ng.h/ml 471.0 pg.h/ml skin/dermal; DRUGBANK
AUC 0.23 ng.h/ml 231±285 pg.h/ml Vaginal Administration; DRUGBANK
Bioavailability 6.0 % 2-10 % Tablet, PO, oral; DRUGBANK
Bioavailability 40.0 % >40 % Transdermal preparations; DRUGBANK
C Max 0.17 ng/ml 174.0 pg/ml Transdermal preparations; DRUGBANK
C Max 0.0540 ng/ml 54.0 pg/ml skin/dermal; DRUGBANK
C Max 0.0630 ng/ml 63.0 pg/ml Vaginal Administration; DRUGBANK
C Max 0.0128 ng/ml 12.8±16.6 pg/ml Vaginal Administration; DRUGBANK
T Max 20.0 h 20 h skin/dermal; DRUGBANK
T Max 0.75 h 0.5-1 h Vaginal Administration; DRUGBANK
T Max 8.5 h 8.5±6.2 h Vaginal Administration; DRUGBANK
Tss 180.0 h 7-8 day skin/dermal; DRUGBANK
Clearance 1.8 L/h/kg 29.9±15.5 ml/min/kg PO, oral; postmenopausal women; DRUGBANK
Clearance 0.0780 L/h/kg 1.3 ml/min/kg intravenous injection, IV; DRUGBANK
Clearance 1.8 L/h/kg 30 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 1.2 L/kg 1.2 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 6.5 h 1-12 h PO, oral; DRUGBANK
Half-life 6.5 h 1-12 h intravenous injection, IV; DRUGBANK
Half-life 16.9 h 16.9±6.0 h elimination half-life; postmenopausal women; PO, oral; DRUGBANK
Half-life 0.46 h 27.45±5.65 min elimination half-life; postmenopausal women; intravenous injection, IV; DRUGBANK
Half-life 1.7 h 1.7 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 960.0 mg/kg 960.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Toxicity TDLo 1.0 mg/kg/day 21.0 mg/kg/21D  Female, women; DRUGBANK
Toxicity NOAEL 0.003000 mg/kg/day 0.003 mg/kg/day PO, oral; Rattus, Rat; DRUGBANK
Protein Binding 95.0 % >95 % plasma proteins; DRUGBANK
Protein Binding 95.0 % <95 % DRUGBANK

Maximum Dosage

Not Available

Drug Property Radar Chart

...

Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1