IDB

3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID

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

Find Related PDB Entry
1 entries where IDB is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	12

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID
Synonyms	3,3'-[(1,6-DIOXOHEXANE-1,6-DIYL)DIIMINO]BIS(2,4,6-TRIIODOBENZOIC ACID)
Systematic Name (OpenEye OEToolkits)	3-[[6-[(3-carboxy-2,4,6-triiodo-phenyl)amino]-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid
Formula	C₂₀ H₁₄ I₆ N₂ O₆
Molecular Weight	1,139.762
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I
SMILES	CACTVS	3.341	OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(O)=O)c2I)c1I
SMILES	OpenEye OEToolkits	1.5.0	c1c(c(c(c(c1I)NC(=O)CCCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I
Canonical SMILES	CACTVS	3.341	OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(O)=O)c2I)c1I
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(c(c(c(c1I)NC(=O)CCCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I
InChI	InChI	1.03	InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
InChIKey	InChI	1.03	FFINMCNLQNTKLU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04711
Name	Iodipamide
Groups	approved
Description	Iodipamide is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography.
Synonyms	Adipiodone 3,3'-(adipoyldiimino)bis(2,4,6-triiodobenzoic acid) Adipiodona Iodipamide Iodipamide meglumine Adipiodonum Iodipamide sodium
Brand Names	Sinografin - Liq Iu Sinografin Cholografin Meglumine Inj. - Liq IV Cholografin Meglumine Cholografin Meglumine Inj
Indication	Iodipamide is used as a contrast agent for cholecystography and intravenous cholangiography.
Categories	Acids, Carbocyclic Benzene Derivatives Benzoates Compounds used in a research, industrial, or household setting Contrast Media Diagnostic Uses of Chemicals Iodinated Contrast Agents Iodobenzoates Radiographic Contrast Agent Roentgenography Triiodobenzoic Acids Watersoluble, Hepatotropic X-Ray Contrast Media X-Ray Contrast Activity X-Ray Contrast Media, Iodinated
ATC-Code	V08AC04
CAS number	606-17-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Serum albumin	MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...	unknown	binder

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