Chemical Component Summary

Name[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID
Identifiers[[4-[4-[4-(difluoro-phosphono-methyl)phenyl]butyl]phenyl]-difluoro-methyl]phosphonic acid
FormulaC18 H20 F4 O6 P2
Molecular Weight470.289
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O
InChIInChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)
InChIKeySRHSAABKYJDBDV-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count0
Bond Count51
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB04204 
Name[(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid
Groups experimental
Synonyms[(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Tyrosine-protein phosphatase non-receptor type 1MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 446665
ChEMBL CHEMBL1161222