Details of the Drug

General Information of Drug (ID: DM7G0EP)

Drug Name
Fosmidomycin
Synonyms
FOM; Fosmidomycina; Fosmidomycine; Fosmidomycinum; FR-31564; Fosmidomycina [INN-Spanish]; Fosmidomycine [INN-French]; Fosmidomycinum [INN-Latin]; {3-[formyl(hydroxy)amino]propyl}phosphonic acid; (3-(Formylhydroxyamino)propyl)phosphonic acid, monosodium salt; (3-(N-Hydroxyformamido)propyl)phosphonic acid; 3-(Formyl-hydroxy-amino)propylphosphonic acid; 3-(N-Formyl-N-hydroxyamino)-propylphosphonic acid; 3-(N-hydroxyformamido)propylphosphonic acid; 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID
Indication
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Approved [1]
Therapeutic Class
Antimalarials
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 183.1
Logarithm of the Partition Coefficient (xlogp) -2.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C4H10NO5P
IUPAC Name
3-[formyl(hydroxy)amino]propylphosphonic acid
Canonical SMILES
C(CN(C=O)O)CP(=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)
InChIKey
GJXWDTUCERCKIX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
572
ChEBI ID
CHEMBL443725
CAS Number
66508-53-0
UNII
5829E3D9I9
DrugBank ID
DB02948
TTD ID
D09UXE
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium DOXP reductoisomerase (Malaria DXR) TTLH4J3 DXR_PLAFX Binder [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71.
2 Structural basis of fosmidomycin action revealed by the complex with 2-C-methyl-D-erythritol 4-phosphate synthase (IspC). Implications for the cata... J Biol Chem. 2003 May 16;278(20):18401-7.