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

General Information of Drug (ID: DMX4VY9)

• Drug Name: isobutyric acid Drug Info
• Synonyms: isobutyrate

Indication

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

• Cross-matching ID:
  PubChem CID: 6590
  ChEBI ID: CHEBI:16135
  CAS Number: CAS 79-31-2
  TTD Drug ID: DMX4VY9

Molecule-Related Drug Atlas

Drug(s) Targeting Free fatty acid receptor 2 (FFAR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
GLPG0974	DMXO4T8	Abortion	JA00	Phase 2	[4]
HL-018	DMT3HKZ	Diabetic complication	5A2Y	Phase 1	[5]
(S)-4-CMTB	DMI12X9	Discovery agent	N.A.	Investigative	[6]
1-methylcyclopropanecarboxylic acid	DMDIH07	Discovery agent	N.A.	Investigative	[7]
pentanoic acid	DM56RAX	Discovery agent	N.A.	Investigative	[8]
trans-2-methylcrotonic acid	DMHJM0B	Discovery agent	N.A.	Investigative	[7]
AMG7703	DMJ6L9U	Discovery agent	N.A.	Investigative	[9]
PMID23589301C1	DMB7TE6	Discovery agent	N.A.	Investigative	[10]
CATPB	DMF7TBW	Discovery agent	N.A.	Investigative	[6]

Drug(s) Targeting Free fatty acid receptor 3 (FFAR3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
(S)-4-CMTB	DMI12X9	Discovery agent	N.A.	Investigative	[11]
1-methylcyclopropanecarboxylic acid	DMDIH07	Discovery agent	N.A.	Investigative	[7]
pentanoic acid	DM56RAX	Discovery agent	N.A.	Investigative	[3]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Free fatty acid receptor 2 (FFAR2)	TT0FYAN	FFAR2_HUMAN	Agonist	[2]
Free fatty acid receptor 3 (FFAR3)	TTXDOHN	FFAR3_HUMAN	Agonist	[3]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1060).
• [2] Functional characterization of human receptors for short chain fatty acids and their role in polymorphonuclear cell activation. J Biol Chem. 2003 Jul 11;278(28):25481-9.
• [3] Short-chain fatty acids stimulate leptin production in adipocytes through the G protein-coupled receptor GPR41. Proc Natl Acad Sci U S A. 2004 Jan 27;101(4):1045-50.
• [4] Discovery and optimization of an azetidine chemical series as a free fatty acid receptor 2 (FFA2) antagonist: from hit to clinic. J Med Chem. 2014 Dec 11;57(23):10044-57.
• [5] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 226).
• [6] Extracellular ionic locks determine variation in constitutive activity and ligand potency between species orthologs of the free fatty acid receptors FFA2 and FFA3. J Biol Chem. 2012 Nov 30;287(49):41195-209.
• [7] Selective orthosteric free fatty acid receptor 2 (FFA2) agonists: identification of the structural and chemical requirements for selective activation of FFA2 versus FFA3. J Biol Chem. 2011 Mar 25;286(12):10628-40.
• [8] The Orphan G protein-coupled receptors GPR41 and GPR43 are activated by propionate and other short chain carboxylic acids. J Biol Chem. 2003 Mar 28;278(13):11312-9.
• [9] Extracellular loop 2 of the free fatty acid receptor 2 mediates allosterism of a phenylacetamide ago-allosteric modulator. Mol Pharmacol. 2011 Jul;80(1):163-73.
• [10] Defining the molecular basis for the first potent and selective orthosteric agonists of the FFA2 free fatty acid receptor. J Biol Chem. 2013 Jun 14;288(24):17296-312.
• [11] Identification and functional characterization of allosteric agonists for the G protein-coupled receptor FFA2. Mol Pharmacol. 2008 Dec;74(6):1599-609.