FCD

5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID

Created: 2004-10-05
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count12
2D diagram of FCD
Toggle HydrogenToggle Labels

Chemical Component Summary

Name5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)5-(2-chlorophenyl)furan-2-carboxylic acid
FormulaC11 H7 Cl O3
Molecular Weight222.624
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)c2oc(c1c(Cl)cccc1)cc2
SMILESCACTVS3.341OC(=O)c1oc(cc1)c2ccccc2Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl
Canonical SMILESCACTVS3.341 OC(=O)c1oc(cc1)c2ccccc2Cl
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl
InChIInChI1.03 InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKeyInChI1.03 PJGGWIHXGHQXMM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02909 
Name5-(2-Chlorophenyl)Furan-2-Carboxylic Acid
Groups experimental
Synonyms5-(2-Chlorophenyl)Furan-2-Carboxylic Acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Methionine aminopeptidase 2MPSRTALSPGVLSPTRPVPNWIARPEYVGKPAAQEGSEPWVQTPEVIEKM...unknown
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 784625
ChEMBL CHEMBL200238