Details of the Drug

General Information of Drug (ID: DMIMD0T)

• Drug Name: ARI-3099
• Synonyms: compound 6 [PMID: 23594271]; compound 226 [PMID: 24997602]; Py(D)AlaboroPro

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 291.11
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 4
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C13H18BN3O4
  IUPAC Name: [(2R)-1-[(2R)-2-(pyridine-4-carbonylamino)propanoyl]pyrrolidin-2-yl]boronic acid
  Canonical SMILES: B([C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)C2=CC=NC=C2)(O)O
  InChI: InChI=1S/C13H18BN3O4/c1-9(16-12(18)10-4-6-15-7-5-10)13(19)17-8-2-3-11(17)14(20)21/h4-7,9,11,20-21H,2-3,8H2,1H3,(H,16,18)/t9-,11+/m1/s1
  InChIKey: DRBWRJPFNOBNIO-KOLCDFICSA-N
• Cross-matching ID:
  PubChem CID: 71655266
  TTD ID: D03DNV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acylamino-acid-releasing enzyme (APEH)	TTYWEDQ	ACPH_HUMAN	Inhibitor	[1]
Prolyl endopeptidase FAP (FAP)	TTGPQ0F	SEPR_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prolyl endopeptidase FAP (FAP)	DTT	FAP	2.01E-01	0.07	0.84

References

• [1] A high-throughput, multiplexed assay for superfamily-wide profiling of enzyme activity. Nat Chem Biol. 2014 Aug;10(8):656-63.
• [2] Identification of selective and potent inhibitors of fibroblast activation protein and prolyl oligopeptidase. J Med Chem. 2013 May 9;56(9):3467-77.