Details of the Drug

General Information of Drug (ID: DM1DJX2)

Drug Name

(2S)-aminobutyryl-L-proline n-pentylamide

Synonyms

CHEMBL376374; (2S)-aminobutyryl-L-proline n-pentylamide; SCHEMBL6242559

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)

269.38

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H27N3O2
IUPAC Name: (2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide
Canonical SMILES: CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)N
InChI: InChI=1S/C14H27N3O2/c1-3-5-6-9-16-13(18)12-8-7-10-17(12)14(19)11(15)4-2/h11-12H,3-10,15H2,1-2H3,(H,16,18)/t11-,12-/m0/s1
InChIKey: DFWCJPNYAWVSTR-RYUDHWBXSA-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.