Details of the Drug

General Information of Drug (ID: DMQZ13A)

Drug Name

L-valyl-L-proline benzylamide

Synonyms

CHEMBL376375; L-valyl-L-proline benzylamide

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)

303.4

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H25N3O2
IUPAC Name: (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide
Canonical SMILES: CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC2=CC=CC=C2)N
InChI: InChI=1S/C17H25N3O2/c1-12(2)15(18)17(22)20-10-6-9-14(20)16(21)19-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11,18H2,1-2H3,(H,19,21)/t14-,15-/m0/s1
InChIKey: LCASDNOITBVYIV-GJZGRUSLSA-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.