Details of the Drug

General Information of Drug (ID: DMWQK86)

Drug Name

(2S)-aminobutyryl-(R)-pipecolinic acid amide

Synonyms

CHEMBL225617; (2S)-aminobutyryl-(R)-pipecolinic acid amide

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)

213.28

Logarithm of the Partition Coefficient (xlogp)

-0.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H19N3O2
IUPAC Name: (2R)-1-[(2S)-2-aminobutanoyl]piperidine-2-carboxamide
Canonical SMILES: CC[C@@H](C(=O)N1CCCC[C@@H]1C(=O)N)N
InChI: InChI=1S/C10H19N3O2/c1-2-7(11)10(15)13-6-4-3-5-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)/t7-,8+/m0/s1
InChIKey: CRFULCBPWYMTAL-JGVFFNPUSA-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.