Details of the Drug

General Information of Drug (ID: DMTFP0Z)

Drug Name

(2S)-aminobutyryl-L-proline (R)-sec-butylamide

Synonyms

CHEMBL376183; (2S)-aminobutyryl-L-proline (R)-sec-butylamide

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)

255.36

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H25N3O2
IUPAC Name: (2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide
Canonical SMILES: CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)N
InChI: InChI=1S/C13H25N3O2/c1-4-9(3)15-12(17)11-7-6-8-16(11)13(18)10(14)5-2/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t9-,10+,11+/m1/s1
InChIKey: VEBCSYAWQCGSMV-VWYCJHECSA-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.