estramustine phosphate ๐Ÿถ Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
antineoplastic, alkylating agents, (beta-chloroethyl)amine derivatives 1066 4891-15-0

Description:

MoleculeDescription

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:

PropertyValueReference
MRTD (Maximum Recommended Therapeutic Daily Dose) 16.47 ยตM/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:

DateAgencyCompanyOrphan
Dec. 24, 1981 FDA PHARMACIA AND UPJOHN

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients 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 termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients 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:

SourceCodeDescription
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




๐Ÿถ Veterinary Drug Use

None

๐Ÿถ Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (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:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Estrogen receptor beta Nuclear hormone receptor MODULATOR CHEMBL CHEMBL
Tyrosine-protein phosphatase non-receptor type 1 Enzyme IC50 4.20 CHEMBL
Tyrosine-protein phosphatase non-receptor type 11 Enzyme Kd 5.08 CHEMBL
Protein-tyrosine phosphatase 1C Enzyme IC50 4.39 CHEMBL
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 Enzyme IC50 4.45 CHEMBL

External reference:

IDSource
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:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
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