GW9

2-chloro-5-nitro-N-phenylbenzamide

Created:	2008-09-18
Last modified:	2024-09-27

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3 entries where GW9 is found as a standalone ligand11 entries where GW9 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	12

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Chemical Component Summary
Name	2-chloro-5-nitro-N-phenylbenzamide
Systematic Name (OpenEye OEToolkits)	2-chloro-5-nitro-N-phenyl-benzamide
Formula	C₁₃ H₉ Cl N₂ O₃
Molecular Weight	276.675
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1cc(ccc1Cl)[N+]([O-])=O)Nc2ccccc2
SMILES	CACTVS	3.341	[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.341	[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChIKey	InChI	1.03	DNTSIBUQMRRYIU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07863
Name	2-chloro-5-nitro-N-phenylbenzamide
Groups	experimental
Synonyms	2-chloro-5-nitro-N-phenylbenzamide

Drug Targets

Name	Target Sequence	Pharmacological Action
Nuclear receptor coactivator 2	MSGMGENTSDPSRAETRKRKECPDQLGPSPKRNTEKRNREQENKYIEELA...	unknown
Peroxisome proliferator-activated receptor gamma	MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDL...	unknown
Retinoic acid receptor RXR-alpha	MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSP...	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