Details of the Drug

General Information of Drug (ID: DML4G6K)

Drug Name
D-Val-L-boroPro
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 215.08
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C9H20BN2O3+
IUPAC Name
[(2R)-1-[(2R)-2-boronopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanium
Canonical SMILES
B([C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH3+])(O)O
InChI
InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/p+1/t7-,8+/m0/s1
InChIKey
FKCMADOPPWWGNZ-JGVFFNPUSA-O
Cross-matching ID
PubChem CID
44422921
TTD ID
D01OUJ

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and characterization of constrained peptidomimetic dipeptidyl peptidase IV inhibitors: amino-lactam boroalanines. J Med Chem. 2007 May 17;50(10):2391-8.