estramustine

Ligand id: 9076

Name: estramustine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 49.77
Molecular weight 439.17
XLogP 6.7
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
IUPAC Name
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate
International Nonproprietary Names
INN number INN
2877 estramustine
Synonyms
Emcyt® | Estracyt®
Comments
Estramustine is a synthetic analogue combining estradiol and nornitrogen mustard. It is a DNA alkylating agent with antineoplastic activity.
Marketed formulations contain estramustine phosphate sodium (PubChem CID 444000).
Database Links
BindingDB Ligand 50333646
ChEMBL Ligand CHEMBL1575
DrugBank Ligand DB01196
GtoPdb PubChem SID 315661161
PubChem CID 259331
Search Google for chemical match using the InChIKey FRPJXPJMRWBBIH-RBRWEJTLSA-N
Search Google for chemicals with the same backbone FRPJXPJMRWBBIH
Search PubMed clinical trials estramustine
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Search UniChem for chemical match using the InChIKey FRPJXPJMRWBBIH-RBRWEJTLSA-N
Search UniChem for chemicals with the same backbone FRPJXPJMRWBBIH
Wikipedia Estramustine