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iGMDRD107

Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

InChI: InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)

InChI Key: LNPDTQAFDNKSHK-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Valdecoxib	CHEMBL865	119607	D02709	DB00580	Alone	DAP001541	Small Molecule

Drug Class:

Amides Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antirheumatic Agents Azoles Central Nervous System Agents COX Inhibitors COX-2 Inhibitors Cyclooxygenase Inhibitors Cytochrome P-450 Enzyme Inhibitors Enzyme Inhibitors Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Musculo-Skeletal System Peripheral Nervous System Agents Selective Cyclooxygenase 2 Inhibitors (NSAIDs)Sensory System Agents Sulfones Sulfur Compounds

Drug Targets:

PTGS2 (P35354)CA2 (P00918)CA3 (P07451)

Drug Pathways:

Arachidonic acid metabolism

Drug Synonyms:

Valdecoxib (USAN/INN)Bextra (TN)

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

Gene ID	Gene Name	Model Num.
347365	ITIH6	3
80070	ADAMTS20	3
8266	UBL4A	1
23235	SIK2	5
55728	N4BP2	1
2242	FES	3
22984	PDCD11	3
5330	PLCB2	3
9759	HDAC4	2
8148	TAF15	3
5450	POU2AF1	5
7157	TP53	1
652	BMP4	3
5871	MAP4K2	3
5069	PAPPA	3
57144	PAK5	3
10155	TRIM28	3
1956	EGFR	1
4609	MYC	2
11064	CNTRL	3
673	BRAF	1
5205	ATP8B1	2
9509	ADAMTS2	3
1869	E2F1	1
667	DST	2
8028	MLLT10	2
54861	SNRK	2
7248	TSC1	2
54790	TET2	3
4763	NF1	2
4629	MYH11	3

Gene in drug-gene network: Network Plot

Models in Valdecoxib

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