Details of the Drug

General Information of Drug (ID: DM7DBTZ)

Drug Name

Alpha-methylalanyl-L-proline butylamide

Synonyms

CHEMBL388062; alpha-methylalanyl-L-proline butylamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

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)

-0.3

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-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide
Canonical SMILES: CCCCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)N
InChI: InChI=1S/C13H25N3O2/c1-4-5-8-15-11(17)10-7-6-9-16(10)12(18)13(2,3)14/h10H,4-9,14H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKey: XPMXVLRTYROPLL-JTQLQIEISA-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]

------------------------------------------------------------------------------------

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.