Details of the Drug

General Information of Drug (ID: DMX4DRV)

Drug Name

L-valyl-L-proline hexylamide

Synonyms

CHEMBL375490; L-valyl-L-proline hexylamide; SCHEMBL6245007

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)

297.44

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H31N3O2
IUPAC Name: (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-hexylpyrrolidine-2-carboxamide
Canonical SMILES: CCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N
InChI: InChI=1S/C16H31N3O2/c1-4-5-6-7-10-18-15(20)13-9-8-11-19(13)16(21)14(17)12(2)3/h12-14H,4-11,17H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
InChIKey: BWJSLNXXZBEGLH-KBPBESRZSA-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.