All FDA-approved EMA-approved PMDA-approved
Target Card Uniprot Example: P23975

estradiol benzoate 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
estrogens	1058	50-50-0

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: estradiol benzoate benzhormovarine benzoestrofol benzofoline dimenformon benzoate estradiol monobenzoate	The 17-beta-isomer of estradiol, an aromatized C18 steroid with hydroxyl group at 3-beta- and 17-beta-position. Estradiol-17-beta is the most potent form of mammalian estrogenic steroids Molecular weight: 376.50 Formula: C25H28O3 CLOGP: 5.93 LIPINSKI: 1 HAC: 3 HDO: 1 TPSA: 46.53 ALOGS: -6.30 ROTB: 3 Status: OFP Legend: OFP - off patent OFM - off market ONP - on patent

Drug dosage:

None

ADMET properties:

Property	Value	Reference
S (Water solubility)	0.01 mg/mL	Bocci G, Oprea TI, Benet LZ
BA (Bioavailability)	5 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	4.941		Moderate	0.71
caco2-efflux	Caco-2 efflux ratio (BA/AB)	1.216		Moderate	0.71
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	4.487	10^-6 cm/s	Moderate	0.71
dh-clint	Dog hepatocyte intrinsic clearance	103.039	uL/min/10^6 cells	Moderate	0.71
dppb	Dog plasma protein binding (% unbound)	0.100	%	Moderate	0.71
fcs-ppb	Fetal calf serum protein binding (% unbound)	0.150	%	Moderate	0.71
herg	hERG pIC50	4.708	pIC50	Moderate	0.71
hh-clint	Human hepatocyte intrinsic clearance	203.704	uL/min/10^6 cells	Moderate	0.71
hlm-clint	Human liver microsomal intrinsic clearance	95.940	uL/min/mg protein	Moderate	0.71
hppb	Human plasma protein binding (% unbound)	0.300	%	Moderate	0.71
kinase-safety-class	ACVR2B,AXL,BRAF,CDK5,EIF2AK3,GRK2,ITK,MAPK10,PDK1,PDK2,PDK4,PIK3CG,TGFBR1	13
kinase-selectivity-class	EIF2AK3	1
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	0.550		Moderate	0.71
mh-clint	Mouse hepatocyte intrinsic clearance	203.704		Moderate	0.71
mppb	Mouse plasma protein binding (% unbound)	0.240		Moderate	0.71
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	1.690		Moderate	0.71
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	0.470	%	Moderate	0.71
rh-clint	Rat hepatocyte intrinsic clearance	252.348	uL/min/10^6 cells	Moderate	0.71
rh-fuinc	Rat hepatocyte fraction unbound in incubation	1.730	%	Moderate	0.71
rppb	Rat plasma protein binding (% unbound)	0.200	%	Moderate	0.71
solubility-dd	Solubility at pH 7.4 in DMSO	1.607	uM	Moderate	0.71

Approvals:

Date	Agency	Company	Orphan
None	FDA

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Schizoaffective disorder	311.54	67.51	50	613	5097	90622687
Drug level increased	227.43	67.51	50	613	27712	90600072
Electrocardiogram QT prolonged	179.77	67.51	50	613	72406	90555378
Drug interaction	144.57	67.51	59	604	276394	90351390

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
FDA CS	M0447348	Estradiol Congeners
FDA MoA	N0000000100	Estrogen Receptor Agonists
MeSH PA	D004967	Estrogens
MeSH PA	D006728	Hormones
FDA EPC	N0000175825	Estrogen
CHEBI has role	CHEBI:50114	estrogen
CHEBI has role	CHEBI:77746	human metabolite

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

Species	Use	Relation
Cattle	To increase rate of weight gain	Indication
Cattle	To improve feed efficiency	Indication
Cattle	Synchronization of estrus/ovulation	Indication

🐶 Veterinary products

Product	Applicant	Ingredients
Synovex C, Synovex S	Zoetis Inc.	2
Synovex H	Zoetis Inc.	2
Component E-C with Tylan, Component E-S with Tylan	Elanco US Inc.	3
SYNOVEX Choice, SYNOVEX PLUS	Zoetis Inc.	2
SYNOVEX ONE FEEDLOT, SYNOVEX ONE Grower	Zoetis Inc.	2

Acid dissociation constants calculated using MoKa v3.0.0

None

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Sodium-dependent serotonin transporter	Transporter	P31645	SC6A4_HUMAN		Ki	5.71		DRUG MATRIX
Sodium-dependent noradrenaline transporter	Transporter	P23975	SC6A2_HUMAN		Ki	4.77		DRUG MATRIX
5-hydroxytryptamine receptor 2B	GPCR	P41595	5HT2B_HUMAN		Ki	5.13		DRUG MATRIX
Glucocorticoid receptor	Nuclear hormone receptor	P04150	GCR_HUMAN		Ki	5.64		DRUG MATRIX
Alpha-2C adrenergic receptor	GPCR	P18825	ADA2C_HUMAN		Ki	5.45		DRUG MATRIX
Adenosine receptor A3	GPCR	P0DMS8	AA3R_HUMAN		Ki	4.91		DRUG MATRIX
Estrogen receptor	Nuclear hormone receptor	P03372	ESR1_HUMAN		Ki	7.75		DRUG MATRIX
Sex hormone-binding globulin	Secreted	P04278	SHBG_HUMAN		Kd	5.94		CHEMBL
Tyrosine-protein kinase Fyn	Kinase	P06241	FYN_HUMAN		IC50	4.64		DRUG MATRIX
Androgen receptor	Transcription factor		ANDR_RAT		Ki	8.16		DRUG MATRIX
Progesterone receptor	Transcription factor		Q690N0_BOVIN		Ki	5.90		DRUG MATRIX

External reference:

ID	Source
D01953	KEGG_DRUG
4017609	VANDF
4021205	VANDF
C0167626	UMLSCUI
CHEBI:77006	CHEBI
EST	PDB_CHEM_ID
CHEMBL282575	ChEMBL_ID
DB13953	DRUGBANK_ID
222757	PUBCHEM_CID
405	INN_ID
1S4CJB5ZGN	UNII
DB00783	DRUGBANK_ID
4083	RXNORM
12022	MMSL
4684	MMSL
6157	MMSL
73109	MMSL
73244	MMSL
8602	MMSL
NOCODE	MMSL
d00537	MMSL
001265	NDDF
003687	NDDF
126172005	SNOMEDCT_US
12839006	SNOMEDCT_US
96349008	SNOMEDCT_US
C0014912	UMLSCUI
5757	PUBCHEM_CID
406	INN_ID
D004958	MESH_DESCRIPTOR_UI
CHEBI:16469	CHEBI
1S4CJB5ZGN	INXIGHT DRUGS

Pharmaceutical products:

None