Details of the Drug

General Information of Drug (ID: DMG0QKL)

Drug Name

(2S)-aminobutyryl-L-prolinamide

Synonyms

CHEMBL224063; (2S)-aminobutyryl-L-prolinamide

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)

199.25

Logarithm of the Partition Coefficient (xlogp)

-0.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C9H17N3O2
IUPAC Name: (2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide
Canonical SMILES: CC[C@@H](C(=O)N1CCC[C@H]1C(=O)N)N
InChI: InChI=1S/C9H17N3O2/c1-2-6(10)9(14)12-5-3-4-7(12)8(11)13/h6-7H,2-5,10H2,1H3,(H2,11,13)/t6-,7-/m0/s1
InChIKey: JNTYXKIFNYMZLM-BQBZGAKWSA-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.