UCSF

ZINC03830635

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 39 No

Popular Name: Deferoxamine mesylate Deferoxamine mesylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 138-14-7 , 138-14-7, 70-51-9 [defero , 138-14-7, 70-51-9 [deferoxamine] , 1950-39-6 , 70-51-9 , [1950-39-6] , [70-51-9]

Other Names:

138-14-7; D01186; Deferoxamine mesilate (JP16); Deferoxamine mesylate (USP); Desferal (TN)

138-14-7; Deferoxamine mesylate; Prestwick_988

1950-39-6; D07780; Deferoxamine hydrochloride (USAN); Desferal (TN)

70-51-9; C06940; Deferoxamine

70-51-9; D03670; Deferoxamine (USAN)

Ba 29837; Butanediamide, N'-(5-((4-((5-(acetylhydroxyamino)pentyl)amino)-1,4-dioxobutyl)hydroxyamino)pentyl)-N-(5-aminopentyl)-N-hydroxy- monohydrochloride; C25H48N6O8; Deferoxamine Hydrochloride; Deferoxamine hydrochloride [USAN]; EINECS 217-767-4; LS-17

Ba 33122; Butanediamide, N'-(5-((4-((5-(acetylhydroxyamino)pentyl)amino)-1,4-dioxobutyl)hydroxyamino)pentyl)-N-(5-aminopentyl)-N-hydroxy-, monomethanesulfonate; C25H48N6O8.CH4O3S; DEFEROXAMINE MESYLATE; DESFERAL; Deferoxamine B mesylate; Deferoxamine mesi

Ba-29837

BA-33112

BA-33112; BA-29837

BRD-K09821361-066-05-0

BRD-K09821361-066-06-8

BRD-K09821361-066-15-9

BRD-K09821361-066-16-7

CGH-749B

Cordaneurin

CPD-3764; deferrioxamine B; desferrioxamine B

CPD-8951; Deferoxamine; deferoxamine mesylate; desferal

Deferoxamide B

Deferoxamide B;Deferoxamin;Deferoxamine B;Deferoxaminum;Deferrioxamine;Deferrioxamine B;Desferrioxamine;Desferrioxamine B;DF B;DFO;DFOA;DFOM;N-Benzoylferrioxamine B

Deferoxamin

deferoxamina; deferoxamine; deferoxaminum

Deferoxamine

Deferoxamine (INN

Deferoxamine (mesylate)

Deferoxamine B

Deferoxamine Mesylate

Deferoxaminum

Deferrioxamine

Deferrioxamine B

Desferal

Desferal Mesylate

Desferan

Desferex

Desferin

Desferral

Desferrin

Desferrioxamine

Desferrioxamine B

Desferrioxamine Mesylate

DF B

DFO

DFO; Deferoxamin; Deferrioxamine; Desferrioxamine; deferrioxamine B

DFOA

DFOM

FDA); Desferrioxamine Mesilate (BAN); Deferoxamine HCl (USAN)

ICL-749B

LS-189977

N'-[5-[[4-[[5-(acetylOHamino)pentyl]amino]-1,4-dioxobutyl]OHamino]pentyl]-N-(5-aminopentyl)-N-OHsuccinamide monohydrochloride

N-Benzoylferrioxamine B

NSC-527604

Perineurin

USAN

USAN); Desferrioxamine (BAN); Deferoxamine Mesilate (JAN); Deferoxamine Mesylate (FDA

USAN); Desferrioxamine (BAN); Deferoxamine Mesilate (JAN); Deferoxamine Mesylate (USAN

USAN); Desferrioxamine (BAN); Deferoxamine Mesylate (FDA

USP

USP); Deferoxamine Mesilate (JAN); Desferrioxamine Mesilate (BAN); Deferoxamine Hydrochloride (USAN)

USP); Desferrioxamine Mesilate (BAN); Deferoxamine HCl (USAN)

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.31 -0.22 -67.17 8 14 1 207 561.701 23 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.90e-02 g/l DrugBank-approved
Therapy chelating agent (Fe & Al) SMDC Iconix
UniProt Database Links CITE2_HUMAN; FHUD_ECOLI; YXEB_BACSU ChEBI
Patent Database Links EP0993831; GB2240630; US2001003001; US2001023240; US2002028250; US2002052422; US2002107266; US2002155993; US2003012817; US2003235612; US2004023847; US2004068013; US2004110839; US2005042274; US2005101671; US2005119502; US2005142156; US2005272638; US2005272 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80491-4-O SK-N-MC (Neuroepithelioma Cells) (cluster #4 Of 4), Other Other 9890 0.18 Functional ≤ 10μM
Z80249-2-O MDCK (Kidney Cells) (cluster #2 Of 2), Other Other 9490 0.18 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80491 Z80491 SK-N-MC (Neuroepithelioma Cells) 4510 0.19 Functional ≤ 10μM
Z80249 Z80249 MDCK (Kidney Cells) 9490 0.18 ADME/T ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )