AMIFOSTINE


Trade Names	AMIFOSTINE ETHYOL
Synonyms	Amifostine Amifostine anhydrous Amifostine disulfide Amifostine trihydrate Ethiofos Ethiofos anhydrous Ethyol Gammaphos NSC-296961 NSC-758236 WR-2721 WR-2721 TRIHYDRATE YM-08310
Status
Molecule Category	UNKNOWN
ATC	V03AF05
UNII	ILA426L95O
EPA CompTox	DTXSID8022585


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	JKOQGQFVAUAYPM-UHFFFAOYSA-N
Smiles	NCCCNCCSP(=O)(O)O
InChI	InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C5H15N2O3PS
Molecular Weight	214.23
AlogP	-0.25
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	7.0
Polar Surface Area	95.58
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	12.0

Pharmacology

Mechanism of Action	Action	Reference
Reactive metabolite scavenging agent	None	DailyMed

Cross References

Resources	Reference
ChEBI	2636
ChEMBL	CHEMBL1006
DrugBank	DB01143
DrugCentral	156
FDA SRS	ILA426L95O
Human Metabolome Database	HMDB0015274
KEGG	C06819
PharmGKB	PA448365
PubChem	148139
SureChEMBL	SCHEMBL18464
ZINC	ZINC000021992285

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).