Details of the Drug

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]
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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

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]

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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.