FOSMIDOMYCIN

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Synonyms
Status
Molecule Category Free-form
UNII 5829E3D9I9
EPA CompTox DTXSID70216712

Structure

InChI Key GJXWDTUCERCKIX-UHFFFAOYSA-N
Smiles O=CN(O)CCCP(=O)(O)O
InChI
InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10NO5P
Molecular Weight 183.1
AlogP -0.6
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 98.07
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Mechanism of Action Action Reference
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 19.95-510 40 21-140 -
Enzyme
- 19.95-510 40 21-140 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Arabidopsis thaliana
- 100 - - -
Escherichia coli
- 19.95-438 - 26.92-34 99.3
Mycobacterium smegmatis
- 80-510 - - -
Mycobacterium tuberculosis
- 80-440 40 140-140 -
Plasmodium berghei str. ANKA
- - - - 82
Plasmodium falciparum
440 32-480 - 21-21 -
Plasmodium falciparum 3D7
- 880 - - -
Plasmodium falciparum Dd2
- 810-880 - - -
Synechocystis sp. PCC 6803
- - - 21 -
Toxoplasma gondii
- - - 90 -
Trypanosoma brucei
- 200 - - -

Cross References

Resources Reference
ChEBI 443725
ChEMBL CHEMBL203125
DrugBank DB02948
FDA SRS 5829E3D9I9
Guide to Pharmacology 9739
PDB FOM
PubChem 572
SureChEMBL SCHEMBL301404
ZINC ZINC000012502867
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