EVOFOSFAMIDE

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Synonyms
Status
Molecule Category Free-form
UNII 8A9RZ3HN8W
EPA CompTox DTXSID60238721

Structure

InChI Key UGJWRPJDTDGERK-UHFFFAOYSA-N
Smiles Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+](=O)[O-]
InChI
InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16Br2N5O4P
Molecular Weight 449.04
AlogP 1.92
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 111.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 301-897 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 6.2-897 - - 41

Cross References

Resources Reference
ChEMBL CHEMBL260046
DrugBank DB06091
FDA SRS 8A9RZ3HN8W
Guide to Pharmacology 8695
SureChEMBL SCHEMBL2357174
ZINC ZINC000029053729
CONTENTS