ZZ0

2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID

Created:	2009-06-30
Last modified:	2021-03-01

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1 entries where ZZ0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	12

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Chemical Component Summary
Name	2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID
Synonyms	2-[(4-CHLOROPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid
Formula	C₁₂ H₉ Cl N₂ O₂
Molecular Weight	248.665
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1)Nc2ncccc2C(=O)O
SMILES	CACTVS	3.352	OC(=O)c1cccnc1Nc2ccc(Cl)cc2
SMILES	OpenEye OEToolkits	1.6.1	c1cc(c(nc1)Nc2ccc(cc2)Cl)C(=O)O
Canonical SMILES	CACTVS	3.352	OC(=O)c1cccnc1Nc2ccc(Cl)cc2
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1cc(c(nc1)Nc2ccc(cc2)Cl)C(=O)O
InChI	InChI	1.03	InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)
InChIKey	InChI	1.03	YEXIXVLEDGNAKM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08784
Name	2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID
Groups	experimental
Synonyms	2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
NmrA-like family domain-containing protein 1	MVDKKLVVVFGGTGAQGGSVARTLLEDGTFKVRVVTRNPRKKAAKELRLQ...	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