UN9

N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE

Created:	2006-06-15
Last modified:	2024-09-27

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18 entries where UN9 is found as a standalone ligand1 entries where UN9 is covalently linked to polymer or other heterogen groups

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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-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Systematic Name (OpenEye OEToolkits)	2-[(1-chloro-4-hydroxy-isoquinolin-3-yl)carbonylamino]ethanoic acid
Formula	C₁₂ H₉ Cl N₂ O₄
Molecular Weight	280.664
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CNC(=O)c1nc(Cl)c2c(c1O)cccc2
SMILES	CACTVS	3.341	OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O
InChI	InChI	1.03	InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
InChIKey	InChI	1.03	OUQVKRKGTAUJQA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08687
Name	FG-2216
Groups	investigational
Description	A orally active prolyl-hydroxylase inhibitor which can stabilize hypoxia-inducible transcription factor independent of oxygen availability. [A14422]
Synonyms	1-Chloro-N-(hydroxyformylmethyl-4-hydroxyisoquinoline-3-carboxamide 1-Chloro-N- (hydroxyformylmethyl-4-hydroxyisoquinoline-3-carboxamide (((1-Chloro-4-hydroxyisoquinolin-3-yl)carbonyl)amino)acetic acid FG-2216
Indication	Investigated for use/treatment in anemia and kidney disease.
CAS number	223387-75-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Egl nine homolog 1	MANDSGGPGGPSPSERDRQYCELCGKMENLLRCSRCRSSFYCCKEHQRQD...	unknown
Hypoxia-inducible factor 1-alpha	MEGAGGANDKKKISSERRKEKSRDAARSRRSKESEVFYELAHQLPLPHNV...	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