DIU

2-HYDROXY-3,5-DIIODO-BENZOIC ACID

Created: 2005-07-26
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count16
Aromatic Bond Count6
2D diagram of DIU
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Chemical Component Summary

Name2-HYDROXY-3,5-DIIODO-BENZOIC ACID
Synonyms2-HYDROXY-3,5-DIIODOBENZOIC ACID
Systematic Name (OpenEye OEToolkits)2-hydroxy-3,5-diiodo-benzoic acid
FormulaC7 H4 I2 O3
Molecular Weight389.914
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Ic1cc(C(=O)O)c(O)c(I)c1
SMILESCACTVS3.341OC(=O)c1cc(I)cc(I)c1O
SMILESOpenEye OEToolkits1.5.0c1c(cc(c(c1C(=O)O)O)I)I
Canonical SMILESCACTVS3.341 OC(=O)c1cc(I)cc(I)c1O
Canonical SMILESOpenEye OEToolkits1.5.0 c1c(cc(c(c1C(=O)O)O)I)I
InChIInChI1.03 InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKeyInChI1.03 DHZVWQPHNWDCFS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04674 
Name2-HYDROXY-3,5-DIIODOBENZOIC ACID
Groups experimental
Synonyms2-HYDROXY-3,5-DIIODOBENZOIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
Endothelin-1 receptorMETLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVT...unknown
Aldo-keto reductase family 1 member C1MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHID...unknown
TransthyretinMASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAV...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 8631
ChEMBL CHEMBL1232243
CCDC/CSD ENEPOE, ENENUI, LEBVEX