A05

5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID

Created: 2007-06-26
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count12
2D diagram of A05
Toggle HydrogenToggle Labels

Chemical Component Summary

Name5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID
Systematic Name (OpenEye OEToolkits)5-(2-chloro-4-nitro-phenyl)furan-2-carboxylic acid
FormulaC11 H6 Cl N O5
Molecular Weight267.622
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)c2oc(c1c(Cl)cc([N+]([O-])=O)cc1)cc2
SMILESCACTVS3.341OC(=O)c1oc(cc1)c2ccc(cc2Cl)[N+]([O-])=O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)c1oc(cc1)c2ccc(cc2Cl)[N+]([O-])=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O
InChIInChI1.03 InChI=1S/C11H6ClNO5/c12-8-5-6(13(16)17)1-2-7(8)9-3-4-10(18-9)11(14)15/h1-5H,(H,14,15)
InChIKeyInChI1.03 HDIHNBCCQWMVBW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07305 
Name5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID
Groups experimental
Synonyms5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
Methionine aminopeptidaseMAISIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIV...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 763808
ChEMBL CHEMBL199544