DEFEROXAMINE

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Synonyms
Status
Molecule Category Free-form
ATC V03AC01
UNII J06Y7MXW4D
EPA CompTox DTXSID7022887

Structure

InChI Key UBQYURCVBFRUQT-UHFFFAOYSA-N
Smiles CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
InChI
InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H48N6O8
Molecular Weight 560.69
AlogP 0.92
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 23.0
Polar Surface Area 205.84
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 39.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Secreted protein
- - - - 87-94
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 0-94
Rattus norvegicus
- - - - 72

Cross References

Resources Reference
ChEBI 4356
ChEMBL CHEMBL556
DrugBank DB00746
DrugCentral 792
FDA SRS J06Y7MXW4D
Human Metabolome Database HMDB0014884
PharmGKB PA164746490
PubChem 2973
SureChEMBL SCHEMBL34571
ZINC ZINC000003830635
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