Details of the Drug

General Information of Drug (ID: DMGD026)

• Drug Name: (R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid
• Synonyms: Gly-boroPro; CHEMBL67089; Glycinyl-(R)-Boroproline; (R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid; SCHEMBL10022738

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 171.99
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C6H13BN2O3
  IUPAC Name: [(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid
  Canonical SMILES: B([C@@H]1CCCN1C(=O)CN)(O)O
  InChI: InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
  InChIKey: BZTBBVKEKPNNBE-YFKPBYRVSA-N
• Cross-matching ID:
  PubChem CID: 10607286
  TTD ID: D04CAR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dipeptidyl peptidase 4 (DPP-4)	TTDIGC1	DPP4_HUMAN	Inhibitor	[1]

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
Dipeptidyl peptidase 4 (DPP-4)	DTT	DPP4	9.54E-01	-0.27	-1.85

References

• [1] Dipeptide boronic acid inhibitors of dipeptidyl peptidase IV: determinants of potency and in vivo efficacy and safety. J Med Chem. 2008 Oct 9;51(19):6005-13.