Drug Information

Drug General Information
Drug ID
D08BRR
Former ID
DNC005399
Drug Name
2-[3-(2-Methyl-butyl)-phenyl]-propionic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527602]
Structure
Download
2D MOL

3D MOL
Formula
C14H20O2
Canonical SMILES
CCC(C)CC1=CC(=CC=C1)C(C)C(=O)O
InChI
1S/C14H20O2/c1-4-10(2)8-12-6-5-7-13(9-12)11(3)14(15)16/h5-7,9-11H,4,8H2,1-3H3,(H,15,16)
InChIKey
MKEVMCJZLHDVPO-UHFFFAOYSA-N
PubChem Compound ID
44398456
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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