ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL203125
CHEMBL203125
Compound Name FOSMIDOMYCIN
ChEMBL Synonyms Fosmidomycin Sodium | FOSMIDOMYCIN
Max Phase 3
Trade Names
Molecular Formula C4H10NO5P

Additional synonyms for CHEMBL203125 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ON(CCCP(=O)(O)O)C=O
Standard InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2, ...
Download InChI
Standard InChI Key GJXWDTUCERCKIX-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL203125

Molecule Features

CHEMBL203125 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
MALARIAD008288EFO:0001068MALARIA2ClinicalTrials

Clinical Data

ClinicalTrials.gov FOSMIDOMYCIN
The Cochrane Collaboration FOSMIDOMYCIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL203125. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL4091 1-deoxyxylulose-5-phosphate reductoisomerase Escherichia coli K-12 1.000
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 1.000
CHEMBL2360 Hypoxanthine-guanine phosphoribosyltransferase Homo sapiens 1.000
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 1.000
CHEMBL4647 Peptide deformylase mitochondrial Homo sapiens 1.000
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 1.000
CHEMBL2010635 Peptide deformylase Staphylococcus aureus 1.000
CHEMBL1649054 Peptide deformylase Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) 1.000
CHEMBL3693 Farnesyl pyrophosphate synthase Leishmania donovani 1.000
CHEMBL1795101 Peptide deformylase Escherichia coli 0.999
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.999
CHEMBL5831 Farnesyl diphosphate synthase Toxoplasma gondii 0.999
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.998
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.997
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.997
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.994
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.986
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.795
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.787
CHEMBL3691 Autotaxin Homo sapiens 0.706



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5630 1-deoxy-D-xylulose 5-phosphate reductoisomerase Mycobacterium tuberculosis 1.000
CHEMBL4091 1-deoxyxylulose-5-phosphate reductoisomerase Escherichia coli K-12 1.000
CHEMBL2360 Hypoxanthine-guanine phosphoribosyltransferase Homo sapiens 1.000
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 1.000
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 1.000
CHEMBL4647 Peptide deformylase mitochondrial Homo sapiens 1.000
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 1.000
CHEMBL3693 Farnesyl pyrophosphate synthase Leishmania donovani 1.000
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 1.000
CHEMBL2010635 Peptide deformylase Staphylococcus aureus 1.000
CHEMBL1649054 Peptide deformylase Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) 1.000
CHEMBL1795101 Peptide deformylase Escherichia coli 0.999
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.999
CHEMBL5831 Farnesyl diphosphate synthase Toxoplasma gondii 0.999
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.998
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.990
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.973
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.966
CHEMBL4001 Histone deacetylase 1 Mus musculus 0.964
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.947

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
183.1 183.0297 -1.4 4 107.88 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.49 - -1.63 -5.22 0 11 0.22

Structural Alerts

There are 12 structural alerts for CHEMBL203125. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GJXWDTUCERCKIX-UHFFFAOYSA-N
PubChem SID: 174006643
Wikipedia Fosmidomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL203125



ACToR 66508-53-0 66508-37-0
BindingDB 50153713
Brenda 1364
ChEBI 443725
DrugBank DB02948
EPA CompTox Dashboard DTXSID70216712
FDA SRS 5829E3D9I9
IBM Patent System 24DAA14A7CCE0C195DAD87DECF350712
Metabolights MTBLC443725
Nikkaji J431.386K
PDBe FOM
PubChem 572
PubChem: Drugs of the Future 12013045
PubChem: Thomson Pharma 14772783
SureChEMBL SCHEMBL301404
ZINC ZINC000012502867

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GJXWDTUCERCKIX-UHFFFAOYSA-N spacer
spacer