Details of the Drug-Related molecule(s) Expression Atlas

General Information of Drug (ID: DMUGQIV)

Drug Name

2-chloro-5-nitro-N-phenylbenzamide Drug Info

Synonyms

2-Chloro-5-nitro-N-phenylbenzamide; GW9662; 22978-25-2; GW 9662; 2-Chloro-5-nitrobenzanilide; GW-9662; MLS001056751; CHEBI:79993; 2-Chloro-5-nitro-N-phenyl-benzamide; 2-Chloro-5-nitro-N-4-phenylbenzamide; benzamide, 2-chloro-5-nitro-N-phenyl-; SMR000326735; (2-chloro-5-nitrophenyl)-N-benzamide; SR-01000075999; Tocris-1508; Spectrum5_001989; Lopac-M-6191; AC1LD8S0; DSSTox_RID_79570; DSSTox_CID_20723; DSSTox_GSID_40723; Lopac0_000798; KBioGR_000361; KBioSS_000361; BSPBio_001021; SCHEMBL420231; CHEMBL375270; GTPL3442; cid_644213

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1] , [2]

Cross-matching ID

PubChem CID: 644213
ChEBI ID: CHEBI:79993
CAS Number: CAS 22978-25-2
TTD Drug ID: DMUGQIV
INTEDE Drug ID: DR2165

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)	TTZMAO3	PPARG_HUMAN	Inhibitor	[1]
PPAR-gamma messenger RNA (PPARG mRNA)	TTT2SVW	PPARG_HUMAN	Inhibitor	[3]
Retinoic acid receptor RXR-alpha (RXRA)	TT6PEUO	RXRA_HUMAN	Inhibitor	[1]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	Highest Status	REF
Oxygen-insensitive NADPH nitroreductase A (nfsA)	DEX5D46	NFSA_SALTY	Investigative	[4]
Oxygen-insensitive NADPH nitroreductase B (nfsB)	DEOWDK1	NFSB_SALTY	Investigative	[4]

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The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule	Molecule Type	Gene Name	Liver	Colon	Kidney	Small Intestine
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)	DTT	PPARG	5.576	6.977	5.736	5.758

Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)	DTT	PPARG	2.41E-01	-0.06	-0.25

Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3442).
3	Tryptophan-containing dipeptide derivatives as potent PPARgamma antagonists: design, synthesis, biological evaluation, and molecular modeling. Eur J Med Chem. 2008 Dec;43(12):2699-716.
4	Effects of bacterial and presystemic nitroreductase metabolism of 2-chloro-5-nitro-N-phenylbenzamide on its mutagenicity and bioavailability. Chem Biol Interact. 2012 Apr 15;197(1):16-22.