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]
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
ChEBI ID
CHEMBL79993
CAS Number
88795-32-8
UNII
4YM8D0GKX6
DrugBank ID
DB03535
TTD ID
D06FNK
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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]

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]
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]
Large ribosomal subunit protein eL43 (RPL37A) OTAMQLY7 RL37A_HUMAN Gene/Protein Processing [2]
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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
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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.