Details of the Drug

General Information of Drug (ID: DM4BZ2L)

Drug Name

PMID1738140C9

Synonyms

GTPL8677; BDBM50008431; ZINC13448941

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

264.36

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H24N2O2
IUPAC Name: (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide
Canonical SMILES: CC(C)CCNC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O
InChI: InChI=1S/C15H24N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
InChIKey: WABAJXKDQWZIOJ-KGLIPLIRSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aspartyl aminopeptidase (DNPEP)	TTGMFY7	DNPEP_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Alpha-Keto amide inhibitors of aminopeptidases. J Med Chem. 1992 Feb 7;35(3):451-6.