Details of the Drug

General Information of Drug (ID: DM7SDNI)

Drug Name

PMID10395480C6

Synonyms

GTPL8632

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)

328.41

Logarithm of the Partition Coefficient (xlogp)

-0.9

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H28N4O4
IUPAC Name: (2S)-1-[(2R,3S)-3-amino-2-hydroxy-5-methylhexanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Canonical SMILES: C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([C@H](CC(C)C)N)O
InChI: InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10-,11-,12+/m0/s1
InChIKey: PDGQBIYMLALKTR-FIQHERPVSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
X-prolyl aminopeptidase 2 (XPNPEP2)	TTI9MBZ	XPP2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Apstatin analogue inhibitors of aminopeptidase P, a bradykinin-degrading enzyme. J Med Chem. 1999 Jul 1;42(13):2394-402.