Details of the Drug

General Information of Drug (ID: DM43O2U)

Drug Name

Z-Pro-Prolinal

Synonyms

Z-Pro-prolinal; N-Benzyloxycarbonyl-prolyl-prolinal; n-benzyloxycarbonyl-l-prolyl-l-prolinal; CHEMBL79993; BRN 4821785; Prolyl Endopeptidase Inhibitor II; 86925-97-5; z-prolyl-prolinal; benzyl (2S)-2-[(2S)-2-formylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate; ZPR; 2-Pyrrolidinecarboxylic acid, 2-((2-formyl-1-pyrrolidinyl)carbonyl)-, phenylmethyl ester, (S-(R*,R*))-; AC1L3UY7; AC1Q6A8G; KBioSS_000265; KBioGR_000265; BSPBio_001545; SCHEMBL1219336; KBio3_000529; KBio2_005401; KBio3_000530; KBio2_002833; KBio2_000265; CTK3E8930

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)

330.4

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H22N2O4
IUPAC Name: benzyl (2S)-2-[(2S)-2-formylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
Canonical SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3)C=O
InChI: InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
InChIKey: ORZXYSPOAVJYRU-HOTGVXAUSA-N

Cross-matching ID

PubChem CID: 122623
CAS Number: 88795-32-8
DrugBank ID: DB03535
TTD ID: D06FNK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prolyl endopeptidase (PREP)	TTNGKET	PPCE_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
ADP-ribosylation factor GTPase-activating protein 3 (ARFGAP3)	OT2G3KCG	ARFG3_HUMAN	Gene/Protein Processing	[2]
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2)	OTR9YPA4	AIMP2_HUMAN	Gene/Protein Processing	[2]
DALR anticodon-binding domain-containing protein 3 (DALRD3)	OTU79VIP	DALD3_HUMAN	Gene/Protein Processing	[2]
Death-associated protein kinase 1 (DAPK1)	OTNCNUCO	DAPK1_HUMAN	Gene/Protein Processing	[2]
Dynamin-2 (DNM2)	OTUYU2U3	DYN2_HUMAN	Gene/Protein Processing	[2]
Elongation factor 1-delta (EEF1D)	OTM5ZD8Y	EF1D_HUMAN	Gene/Protein Processing	[2]
Fibroblast growth factor receptor 1 (FGFR1)	OT4GLCXW	FGFR1_HUMAN	Gene/Protein Processing	[2]
G protein pathway suppressor 2 (GPS2)	OT065FSS	GPS2_HUMAN	Gene/Protein Processing	[2]
GRB2-associated-binding protein 1 (GAB1)	OTQKE6V4	GAB1_HUMAN	Gene/Protein Processing	[2]
Large ribosomal subunit protein eL14 (RPL14)	OTZZW7TK	RL14_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prolyl endopeptidase (PREP)	DTT	PREP	5.70E-01	-0.09	-0.33

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	Prolyl endopeptidase is involved in cellular signalling in human neuroblastoma SH-SY5Y cells. Neurosignals. 2011;19(2):97-109. doi: 10.1159/000326342. Epub 2011 Apr 10.