Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMQ2KF8)

• Drug Name: (R)-3-(4-Isobutyl-phenyl)-butan-2-one Drug Info
• Synonyms: 2-Butanone,3-[4-(2-methylpropyl)phenyl]-,(3R)-; SCHEMBL4471196; CHEMBL371421; ZINC13646153

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 9794254
  TTD Drug ID: DMQ2KF8

Molecule-Related Drug Atlas

Drug(s) Targeting C-X-C chemokine receptor type 1 (CXCR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[1]
Reparixin	DMVBA7I	Pancreatic islet transplantation failure	NE84	Phase 3	[1]
SCH-527123	DMPUAOE	Chronic obstructive pulmonary disease	CA22	Phase 2	[2]
SX-682	DMHMG6X	Melanoma	2C30	Phase 1	[3]
INDOPROFEN	DM5QSKN	Gout	FA25	Withdrawn from market	[1]
R-ketoprofen	DMHSUQ1	N. A.	N. A.	Discontinued in Phase 2	[1]
2-(3-Isopropyl-phenyl)-propionic acid	DMUOWNE	Discovery agent	N.A.	Investigative	[1]
2-[3-(1-Phenyl-ethyl)-phenyl]-propionic acid	DMWIUR0	Discovery agent	N.A.	Investigative	[1]
(R)-2-(4-Isobutyl-phenyl)-propionamide	DMBQ0PR	Discovery agent	N.A.	Investigative	[1]
(R)-N-Hydroxy-2-(4-isobutyl-phenyl)-propionamide	DMWRIQG	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting C-X-C chemokine receptor type 2 (CXCR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[1]
Clotrimazole	DMMFCIH	Cutaneous candidiasis	1F23.14	Approved	[4]
Reparixin	DMVBA7I	Pancreatic islet transplantation failure	NE84	Phase 3	[1]
SCH-527123	DMPUAOE	Chronic obstructive pulmonary disease	CA22	Phase 2	[5]
SB-265610	DM8TKG5	Asthma	CA23	Phase 2	[6]
AZD-5069	DM3JSFK	Asthma	CA23	Phase 2	[7]
PS-938285	DMHZIFJ	Chronic obstructive pulmonary disease	CA22	Phase 2	[8]
GSK1325756	DMA6RBF	Chronic obstructive pulmonary disease	CA22	Phase 2	[9]
SB-656933	DMCY785	Chronic obstructive pulmonary disease	CA22	Phase 2	[10]
RIST4721	DMA3DKO	Hidradenitis suppurativa	ED92.0	Phase 2	[11]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
C-X-C chemokine receptor type 1 (CXCR1)	TTMWT8Z	CXCR1_HUMAN	Inhibitor	[1]
C-X-C chemokine receptor type 2 (CXCR2)	TT30C9G	CXCR2_HUMAN	Inhibitor	[1]

References

• [1] 2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors. J Med Chem. 2005 Jun 30;48(13):4312-31.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] Inhibition of MDSC Trafficking with SX-682, a CXCR1/2 Inhibitor, Enhances NK-Cell Immunotherapy in Head and Neck Cancer Models. Clin Cancer Res. 2020 Mar 15;26(6):1420-1431.
• [4] Mode of action of clotrimazole: implications for therapy. Am J Obstet Gynecol. 1985 Aug 1;152(7 Pt 2):939-44.
• [5] CXCR2 Antagonist MK-7123.A Phase 2 Proof-of-Concept Trial for Chronic Obstructive Pulmonary Disease.Am J Respir Crit Care Med.2015 May 1;191(9):1001-11.
• [6] Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91.
• [7] Pharmacological characterization of AZD5069, a slowly reversible CXC chemokine receptor 2 antagonist. J Pharmacol Exp Ther. 2015 May;353(2):340-50.
• [8] CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
• [9] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [10] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [11] A Randomized, Double-Blind, Placebo-Controlled, Phase 2a Study to Evaluate the Efficacy and Safety of RIST4721 in Subjects with Palmoplantar Pustulosis. Dermatol Ther (Heidelb). 2021 Dec;11(6):2179-2193.