estramustine phosphate 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
antineoplastic, alkylating agents, (beta-chloroethyl)amine derivatives	1066	4891-15-0

Description:

Molecule

Description

Molfile Inchi Smiles

Synonyms:

emcyt
estramustine phosphate
estramustine phosphate sodium

Molecular weight: 520.38
Formula: C23H32Cl2NO6P
CLOGP: 3.27
LIPINSKI: 1
HAC: 7
HDO: 2
TPSA: 96.30
ALOGS: -6.05
ROTB: 8

Status: OFP

Legend:
OFP - off patent
OFM - off market
ONP - on patent

Drug dosage:

None

ADMET properties:

Property	Value	Reference
MRTD (Maximum Recommended Therapeutic Daily Dose)	16.47 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability)	43.70 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution)	0.12 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	0.94 mL/min/kg	Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma)	0.50 %	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	2.40 hours	Lombardo F, Berellini G, Obach RS
S (Water solubility)	10 mg/mL	Bocci G, Oprea TI, Benet LZ
BDDCS (Biopharmaceutical Drug Disposition Classification System)	1	Bocci G, Oprea TI, Benet LZ

Approvals:

Date	Agency	Company	Orphan
Dec. 24, 1981	FDA	PHARMACIA AND UPJOHN

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

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
Osteonecrosis of jaw	79.08	31.55	23	526	17866	34938516

FDA Adverse Event Reporting System (Geriatric)

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
Osteonecrosis of jaw	74.10	37.53	20	327	43206	79700835

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
MeSH PA	D000477	Alkylating Agents
MeSH PA	D000970	Antineoplastic Agents
MeSH PA	D018906	Antineoplastic Agents, Alkylating
MeSH PA	D018931	Antineoplastic Agents, Hormonal
MeSH PA	D009676	Noxae

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

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	1.98	acidic
pKa2	7.03	acidic

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
Estrogen receptor beta	Nuclear hormone receptor	Q92731	ESR2_HUMAN	MODULATOR				CHEMBL	CHEMBL
Tyrosine-protein phosphatase non-receptor type 1	Enzyme	P18031	PTN1_HUMAN		IC50	4.20		CHEMBL
Tyrosine-protein phosphatase non-receptor type 11	Enzyme	Q06124	PTN11_HUMAN		Kd	5.08		CHEMBL
Protein-tyrosine phosphatase 1C	Enzyme	P29350	PTN6_HUMAN		IC50	4.39		CHEMBL
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	Enzyme	O15357	SHIP2_HUMAN		IC50	4.45		CHEMBL

External reference:

ID	Source
D02398	KEGG_DRUG
1227300-83-5	SECONDARY_CAS_RN
4017795	VANDF
C0356799	UMLSCUI
CHEBI:31562	CHEBI
CHEMBL1756	ChEMBL_ID
CHEMBL1200721	ChEMBL_ID
DB14674	DRUGBANK_ID
MUZ9585Y7B	UNII
259329	PUBCHEM_CID
105556	RXNORM
4687	MMSL
691	MMSL
002668	NDDF
007183	NDDF
108769008	SNOMEDCT_US
326745006	SNOMEDCT_US
D004961	MESH_DESCRIPTOR_UI

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
Emcyt	HUMAN PRESCRIPTION DRUG LABEL	1	0013-0132	CAPSULE	140 mg	ORAL	NDA	18 sections
Emcyt	HUMAN PRESCRIPTION DRUG LABEL	1	0013-0132	CAPSULE	140 mg	ORAL	NDA	18 sections