Drug Information

Drug General Information
Drug ID
D0W1WQ
Former ID
DNC005396
Drug Name
(R)-3-(4-Isobutyl-phenyl)-butan-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527602]
Formula
C14H20O
Canonical SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)C
InChI
1S/C14H20O/c1-10(2)9-13-5-7-14(8-6-13)11(3)12(4)15/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1
InChIKey
VOYZJYGIHFRNAG-NSHDSACASA-N
PubChem Compound ID
9794254
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]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
Endocytosis
Epithelial cell signaling in Helicobacter pylori infectionhsa04060:Cytokine-cytokine receptor interaction
Epithelial cell signaling in Helicobacter pylori infection
NetPath Pathway IL2 Signaling PathwayNetPath_9:TNFalpha 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
Pathway Interaction Database IL8- and CXCR1-mediated signaling eventsil8cxcr2_pathway:IL8- and CXCR2-mediated signaling events
Reactome Chemokine receptors bind chemokines
G alpha (i) signalling eventsR-HSA-380108:Chemokine receptors bind chemokines
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, Other
References
Ref 527602J Med Chem. 2005 Jun 30;48(13):4312-31.2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.
Ref 527602J Med Chem. 2005 Jun 30;48(13):4312-31.2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.

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