Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0O5YE
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| Former ID |
DNC005398
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| Drug Name |
2-(3-Isobutyl-phenyl)-propionic acid
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| Synonyms |
66622-47-7; 2-(3-isobutylphenyl)propanoic acid; m-Isobutyl Ibuprofen; 2-[3-(2-methylpropyl)phenyl]propanoic Acid; 2-(3-Isobutylphenyl)propionic Acid; (2RS)-2-(3-(2-Methylpropyl)phenyl)propanoic acid; (2RS)-2-[3-(2-Methylpropyl)phenyl]propanoic Acid; Ibuprofen specified impurity A [EP]; Ibuprofen Impurity A; alpha-(3-Isobutylphenyl)propionic acid; SCHEMBL66534; alpha-Methyl-3-(2-methylpropyl)phenylacetic acid; CHEMBL187556; Benzeneacetic acid, alpha-methyl-3-(2-methylpropyl)-; CTK5C4963; MolPort-029-294-062; AKOS023890981
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C13H18O2
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| Canonical SMILES |
CC(C)CC1=CC(=CC=C1)C(C)C(=O)O
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| InChI |
1S/C13H18O2/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H,14,15)
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| InChIKey |
SFVKLYXPBKITCE-UHFFFAOYSA-N
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| CAS Number |
CAS 66622-47-7
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-X-C chemokine receptor type 1 (CXCR1) | Target Info | Inhibitor | [1] |
| C-X-C chemokine receptor type 2 (CXCR2) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Cytokine-cytokine receptor interaction | |||
| Chemokine signaling pathway | ||||
| Endocytosis | ||||
| Epithelial cell signaling in Helicobacter pylori infection | ||||
| NetPath Pathway | TNFalpha Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Interleukin signaling pathway | ||||
| Pathway Interaction Database | IL8- and CXCR2-mediated signaling events | |||
| IL8- and CXCR1-mediated signaling events | ||||
| Reactome | Chemokine receptors bind chemokines | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| Differentiation Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors. J Med Chem. 2005 Jun 30;48(13):4312-31. | |||
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