4HG

N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE

Created:	2006-02-22
Last modified:	2011-06-04

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2 entries where 4HG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	11

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Chemical Component Summary
Name	N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Systematic Name (OpenEye OEToolkits)	2-[(4-hydroxy-8-iodo-isoquinolin-3-yl)carbonylamino]ethanoic acid
Formula	C₁₂ H₉ I N₂ O₄
Molecular Weight	372.115
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CNC(=O)c2ncc1c(I)cccc1c2O
SMILES	CACTVS	3.341	OC(=O)CNC(=O)c1ncc2c(I)cccc2c1O
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I
Canonical SMILES	CACTVS	3.341	OC(=O)CNC(=O)c1ncc2c(I)cccc2c1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I
InChI	InChI	1.03	InChI=1S/C12H9IN2O4/c13-8-3-1-2-6-7(8)4-14-10(11(6)18)12(19)15-5-9(16)17/h1-4,18H,5H2,(H,15,19)(H,16,17)
InChIKey	InChI	1.03	FUMNLXHPILGSLC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07112
Name	N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Groups	experimental
Synonyms	N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Egl nine homolog 1	MANDSGGPGGPSPSERDRQYCELCGKMENLLRCSRCRSSFYCCKEHQRQD...	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