estrone

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Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	3.579		High	1
caco2-efflux	Caco-2 efflux ratio (BA/AB)	0.436		High	1
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	53.951	10^-6 cm/s	High	1
dh-clint	Dog hepatocyte intrinsic clearance	41.591	uL/min/10^6 cells	High	1
dppb	Dog plasma protein binding (% unbound)	2.440	%	High	1
fcs-ppb	Fetal calf serum protein binding (% unbound)	4.060	%	High	1
herg	hERG pIC50	4.610	pIC50	High	1
hh-clint	Human hepatocyte intrinsic clearance	79.068	uL/min/10^6 cells	High	1
hlm-clint	Human liver microsomal intrinsic clearance	36.644	uL/min/mg protein	High	1
hppb	Human plasma protein binding (% unbound)	2.390	%	High	1
kinase-safety-class	ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIM2,PRKDC,STK33,TEK,TGFBR1	26
kinase-selectivity-class	EIF2AK3,GRK2	2
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	0.873		High	1
mh-clint	Mouse hepatocyte intrinsic clearance	344.350		High	1
mppb	Mouse plasma protein binding (% unbound)	3.130		High	1
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	1.849		High	1
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	5.900	%	High	1
rh-clint	Rat hepatocyte intrinsic clearance	232.809	uL/min/10^6 cells	High	1
rh-fuinc	Rat hepatocyte fraction unbound in incubation	28.330	%	High	1
rppb	Rat plasma protein binding (% unbound)	3.130	%	High	1
solubility-dd	Solubility at pH 7.4 in DMSO	8.204	uM	High	1

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
Menopausal symptoms	43.49	15.71	13	5024	3065	90620345
Hot flush	41.77	15.71	31	5006	59457	90563953
Eosinophilic pneumonia acute	39.85	15.71	9	5028	706	90622704
Thyrotoxic periodic paralysis	26.41	15.71	4	5033	32	90623378
Phyllodes tumour	22.83	15.71	4	5033	84	90623326
Ophthalmic vein thrombosis	22.75	15.71	5	5032	346	90623064
Hypertrophic cardiomyopathy	21.37	15.71	7	5030	2221	90621189
Feeling abnormal	20.77	15.71	35	5002	167200	90456210
Disease recurrence	20.73	15.71	17	5020	37636	90585774
Blood creatine phosphokinase increased	20.08	15.71	16	5021	34007	90589403
Keratoconus	18.78	15.71	3	5034	35	90623375
Muscle necrosis	18.39	15.71	5	5032	839	90622571
Vaginal haemorrhage	16.96	15.71	14	5023	31257	90592153
Ovarian haemorrhage	16.69	15.71	4	5033	407	90623003
Wrong technique in product usage process	16.30	15.71	20	5017	71551	90551859
Incorrect dose administered	16.30	15.71	21	5016	78909	90544501
Injection site pain	16.05	15.71	32	5005	173667	90449743

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
Menopausal symptoms	51.47	17.20	13	4056	2488	110582742
Eosinophilic pneumonia acute	35.98	17.20	9	4060	1656	110583574
Hot flush	26.76	17.20	21	4048	66015	110519215
Ophthalmic vein thrombosis	26.29	17.20	5	4064	256	110584974
Phyllodes tumour	24.13	17.20	4	4065	92	110585138
Hypertrophic cardiomyopathy	21.80	17.20	7	4062	3156	110582074
Thyrotoxic periodic paralysis	21.08	17.20	4	4065	202	110585028
Disease recurrence	19.75	17.20	17	4052	60767	110524463
Injection site pain	17.86	17.20	27	4042	177895	110407335

Source	Code	Description
ATC	G03CA07	GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM ESTROGENS Natural and semisynthetic estrogens, plain
ATC	G03CC04	GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM ESTROGENS Estrogens, combinations with other drugs
MeSH PA	D004967	Estrogens
MeSH PA	D006728	Hormones
CHEBI has role	CHEBI:35610	antineoplastic agent
CHEBI has role	CHEBI:50114	estrogen
CHEBI has role	CHEBI:50646	bone density conservation agent
CHEBI has role	CHEBI:74518	anti-obesity agent
CHEBI has role	CHEBI:75771	mouse metabolite
CHEBI has role	CHEBI:77746	human metabolite

Disease	Relation	SNOMED_ID	DOID
Contraception	indication	13197004
Acne vulgaris	indication	88616000
Chemotherapy-induced nausea and vomiting	indication	236084000
Prevention of Post-Operative Nausea and Vomiting	indication
Prevention of Radiation-Induced Nausea and Vomiting	indication
Excessive vomiting in pregnancy	off-label use	14094001
Amenorrhea	off-label use	14302001	DOID:13938
Female hypogonadism syndrome	off-label use	16041008
Polycystic ovaries	off-label use	69878008
Menopausal flushing	off-label use	198436008
Dysmenorrhea	off-label use	266599000
Abnormal uterine bleeding unrelated to menstrual cycle	off-label use	312984006
Menorrhagia	off-label use	386692008
Heart valve disorder	contraindication	368009	DOID:4079
Hyperlipoproteinemia	contraindication	3744001	DOID:1168
Hypocalcemia	contraindication	5291005
Hypercholesterolemia	contraindication	13644009
Myocardial infarction	contraindication	22298006	DOID:5844
Depressive disorder	contraindication	35489007
Chloasma	contraindication	36209000
Migraine	contraindication	37796009	DOID:6364
Hypertensive disorder	contraindication	38341003	DOID:10763
Disorder of gallbladder	contraindication	39621005	DOID:0060262
Hypothyroidism	contraindication	40930008	DOID:1459
Body fluid retention	contraindication	43498006
Thrombosis of retinal vein	contraindication	46085004
Humoral hypercalcemia of malignancy	contraindication	47709007
Dementia	contraindication	52448006
Hepatic porphyria	contraindication	55056006	DOID:3133
Systemic lupus erythematosus	contraindication	55464009	DOID:9074
Hyperlipidemia	contraindication	55822004	DOID:1168
Benign mammary dysplasia	contraindication	57993004
Obstructive hyperbilirubinemia	contraindication	59848001
Hepatic failure	contraindication	59927004
Thrombophlebitis	contraindication	64156001	DOID:3875
Intermenstrual bleeding - irregular	contraindication	64996003
Diabetes mellitus	contraindication	73211009	DOID:9351
Extrapyramidal disease	contraindication	76349003
Hyperglycemia	contraindication	80394007	DOID:4195
Epilepsy	contraindication	84757009	DOID:1826
Breast lump	contraindication	89164003
Malignant neoplasm of liver	contraindication	93870000	DOID:3571
Uterine leiomyoma	contraindication	95315005	DOID:13223
Deep venous thrombosis	contraindication	128053003
Endometriosis	contraindication	129103003
Liver function tests abnormal	contraindication	166603001
Mammography abnormal	contraindication	168750009
Angina pectoris	contraindication	194828000
Asthma	contraindication	195967001	DOID:2841
Cerebrovascular accident	contraindication	230690007
Pulmonary thromboembolism	contraindication	233935004
Thrombophilia	contraindication	234467004	DOID:2452
Disease of liver	contraindication	235856003	DOID:409
Cholestasis of pregnancy	contraindication	235888006
Endometrial carcinoma	contraindication	254878006	DOID:2871
Chorea	contraindication	271700006
Pregnancy, function	contraindication	289908002
Hypertriglyceridemia	contraindication	302870006
Functional visual loss	contraindication	313165001
Malignant tumor of cervix	contraindication	363354003	DOID:4362
Malignant tumor of ovary	contraindication	363443007	DOID:2394
Thromboembolic disorder	contraindication	371039008
Cardiovascular event risk	contraindication	395112001
Disorder of coronary artery	contraindication	414024009
Obesity	contraindication	414916001	DOID:9970
Estrogen receptor positive tumor	contraindication	416053008
Porphyria	contraindication	418470004
Family history of malignant neoplasm of breast	contraindication	429740004
Hypertensive urgency	contraindication	443482000
Carcinoma of female breast	contraindication	447782002
Smokes tobacco daily	contraindication	449868002
Nonspecific Abnormal Papanicolaou Smear of Cervix	contraindication
Major Surgery with Prolonged Post-Operative Immobilization	contraindication

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General architecture

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

Description:

Drug dosage:

ADMET properties:

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Approvals:

FDA Adverse Event Reporting System (Female)

FDA Adverse Event Reporting System (Male)

FDA Adverse Event Reporting System (Geriatric)

FDA Adverse Event Reporting System (Pediatric)

Pharmacologic Action:

Related Drugs by ATC class:

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

🐶 Veterinary Drug Use

🐶 Veterinary products

Acid dissociation constants calculated using MoKa v3.0.0

Orange Book patent data (new drug applications)

Orange Book exclusivity data (new drug applications)

Bioactivity Summary:

External reference:

Pharmaceutical products:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source	MoA source
Estrogen receptor	Nuclear hormone receptor	P03372	ESR1_HUMAN	AGONIST	EC50	9.15	CHEMBL	CHEMBL
Sodium-dependent serotonin transporter	Transporter	P31645	SC6A4_HUMAN		Ki	5.55	DRUG MATRIX
5-hydroxytryptamine receptor 2B	GPCR	P41595	5HT2B_HUMAN		Ki	5.06	DRUG MATRIX
Estrogen receptor beta	Nuclear hormone receptor	Q92731	ESR2_HUMAN		EC50	8.68	CHEMBL
Aldose reductase	Enzyme	P15121	ALDR_HUMAN		IC50	4.51	CHEMBL
Aromatase	Enzyme	P11511	CP19A_HUMAN		Ki	5.60	CHEMBL
Corticosteroid-binding globulin	Secreted	P08185	CBG_HUMAN		Ki	5	CHEMBL
Steryl-sulfatase	Enzyme	P08842	STS_HUMAN		IC50	4.29	CHEMBL
Sex hormone-binding globulin	Secreted	P04278	SHBG_HUMAN		Kd	8.18	CHEMBL
Estradiol 17-beta-dehydrogenase 1	Enzyme	P14061	DHB1_HUMAN		Ki	8.52	CHEMBL
Aldo-keto reductase family 1 member B10	Enzyme	O60218	AK1BA_HUMAN		IC50	5.80	CHEMBL
Alpha-synuclein	Transporter	P37840	SYUA_HUMAN		IC50	4.03	CHEMBL
Arachidonate 15-lipoxygenase	Enzyme		LOX15_RABIT		IC50	5.18	DRUG MATRIX
Progesterone receptor	Transcription factor		Q690N0_BOVIN		Ki	5.68	DRUG MATRIX
Androgen receptor	Transcription factor		ANDR_RAT		Ki	5.11	DRUG MATRIX

ID	Source
4022631	VUID
N0000146811	NUI
D00067	KEGG_DRUG
4018489	VANDF
4022631	VANDF
C0236379	UMLSCUI
CHEBI:17263	CHEBI
J3Z	PDB_CHEM_ID
CHEMBL1405	ChEMBL_ID
DB00655	DRUGBANK_ID
D004970	MESH_DESCRIPTOR_UI
5870	PUBCHEM_CID
2818	IUPHAR_LIGAND_ID
407	INN_ID
2DI9HA706A	UNII
4103	RXNORM
2450	MMSL
4688	MMSL
d00534	MMSL
001270	NDDF
51775003	SNOMEDCT_US
90017009	SNOMEDCT_US
2DI9HA706A	INXIGHT DRUGS