General Information of Drug (ID: DMVSAUL)

Drug Name
L-isoleucyl-L-prolinamide
Synonyms L-isoleucyl-L-prolinamide; CHEMBL224341
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 (mw) 227.3
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H21N3O2
IUPAC Name
(2S)-1-[(2S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carboxamide
Canonical SMILES
CCC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N)N
InChI
InChI=1S/C11H21N3O2/c1-3-7(2)9(12)11(16)14-6-4-5-8(14)10(13)15/h7-9H,3-6,12H2,1-2H3,(H2,13,15)/t7?,8-,9-/m0/s1
InChIKey
HCKIVERTZIJTOT-NPPUSCPJSA-N
Cross-matching ID
PubChem CID
11673051
TTD ID
D0ZW8E

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tripeptidyl-peptidase II (TPP2) TTQ7R2V TPP2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibitors of tripeptidyl peptidase II. 3. Derivation of butabindide by successive structure optimizations leading to a potential general approach ... J Med Chem. 2005 Nov 17;48(23):7333-42.