Drug General Information
Drug ID	D03SHR
Former ID	DNC005411
Drug Name	IBUPROPHEN
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[527602]
Structure		Download 2D MOL 3D MOL
Formula	C13H18O2
Canonical SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
InChI	1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKey	HEFNNWSXXWATRW-UHFFFAOYSA-N
CAS Number	CAS 15687-27-1
PubChem Compound ID	3672
Target and Pathway
Target(s)	High affinity interleukin-8 receptor A	Target Info	Inhibitor	[527602]
	High affinity interleukin-8 receptor B	Target Info	Inhibitor	[527602]
	Interleukin-8	Target Info	Inhibitor	[530235]
KEGG Pathway	Cytokine-cytokine receptor interaction
	Chemokine signaling pathway
	Endocytosis
	Epithelial cell signaling in Helicobacter pylori infectionhsa04060:Cytokine-cytokine receptor interaction
	NF-kappa B signaling pathway
	Toll-like receptor signaling pathway
	NOD-like receptor signaling pathway
	RIG-I-like receptor signaling pathway
	Non-alcoholic fatty liver disease (NAFLD)
	Epithelial cell signaling in Helicobacter pylori infection
	Shigellosis
	Salmonella infection
	Pertussis
	Legionellosis
	Chagas disease (American trypanosomiasis)
	Malaria
	Amoebiasis
	Hepatitis C
	Hepatitis B
	Influenza A
	Pathways in cancer
	Transcriptional misregulation in cancer
	Bladder cancer
	Rheumatoid arthritis
NetPath Pathway	IL2 Signaling PathwayNetPath_9:TNFalpha Signaling PathwayNetPath_19:IL-7 Signaling Pathway
	IL5 Signaling Pathway
	IL1 Signaling Pathway
	TSH Signaling Pathway
	IL2 Signaling Pathway
	IL3 Signaling Pathway
	IL4 Signaling Pathway
	TNFalpha Signaling Pathway
	TSLP Signaling Pathway
	TCR Signaling Pathway
PANTHER Pathway	Inflammation mediated by chemokine and cytokine signaling pathway
	Interleukin signaling pathwayP00031:Inflammation mediated by chemokine and cytokine signaling pathway
	Interleukin signaling pathway
	CCKR signaling map ST
Pathway Interaction Database	IL8- and CXCR1-mediated signaling eventsil8cxcr2_pathway:IL8- and CXCR2-mediated signaling eventslysophospholipid_pathway:LPA receptor mediated events
	Calcineurin-regulated NFAT-dependent transcription in lymphocytes
	Validated transcriptional targets of AP1 family members Fra1 and Fra2
	Glucocorticoid receptor regulatory network
	ATF-2 transcription factor network
	IL8-mediated signaling events
	AP-1 transcription factor network
	IL8- and CXCR2-mediated signaling events
	Regulation of nuclear beta catenin signaling and target gene transcription
	Syndecan-2-mediated signaling events
	Syndecan-3-mediated signaling events
	IL8- and CXCR1-mediated signaling events
Reactome	Chemokine receptors bind chemokines
	G alpha (i) signalling eventsR-HSA-380108:Chemokine receptors bind chemokines
	G alpha (i) signalling eventsR-HSA-2559582:Senescence-Associated Secretory Phenotype (SASP)
	Peptide ligand-binding receptors
	ATF4 activates genes
	G alpha (i) signalling events
WikiPathways	GPCRs, Class A Rhodopsin-like
	Differentiation Pathway
	Peptide GPCRs
	GPCR ligand binding
	GPCR downstream signaling
	GPCRs, OtherWP455:GPCRs, Class A Rhodopsin-like
	GPCRs, OtherWP75:Toll-like receptor signaling pathway
	SIDS Susceptibility Pathways
	Senescence and Autophagy in Cancer
	IL-3 Signaling Pathway
	Bladder Cancer
	Activation of Genes by ATF4
	EBV LMP1 signaling
	Spinal Cord Injury
	Corticotropin-releasing hormone
	Allograft Rejection
	TSLP Signaling Pathway
	Regulation of toll-like receptor signaling pathway
References
Ref 527602	J Med Chem. 2005 Jun 30;48(13):4312-31.2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.
Ref 527602	J Med Chem. 2005 Jun 30;48(13):4312-31.2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.
Ref 530235	Bioorg Med Chem Lett. 2009 Aug 1;19(15):4026-30. Epub 2009 Jun 13.Structure-Activity Relationship of novel phenylacetic CXCR1 inhibitors.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.