iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1886

Identifiers

  • Canonical SMILES: 
    CNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O
  • IUPAC name: 
    (2S,4R)-1-acetyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide
  • InChi: 
    InChI=1S/C8H14N2O3/c1-5(11)10-4-6(12)3-7(10)8(13)9-2/h6-7,12H,3-4H2,1-2H3,(H,9,13)/t6-,7+/m1/s1
  • InChiKey: 
    XAZYBLFYZNUKHD-RQJHMYQMSA-N

External links


10797632
CHEMBL3108877
V6F

External search

Bibliography (1)

Publication Name
Van Molle Inge, Thomann Andreas, Buckley Dennis L., So Ernest C., Lang Steffen, Crews Craig M., Ciulli Alessio. . Dissecting Fragment-Based Lead Discovery at the von Hippel-Lindau Protein:Hypoxia Inducible Factor 1α Protein-Protein Interface Chemistry & Biology. 13

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 0 0 0

Targets

PPI family Best activity Diseases MMoA
VHL / HIF1α 2.00 Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 186.10 g/mol
HBA 5
HBD 2
HBA + HBD 7
AlogP -2.22
TPSA 69.64
RB 1
Radar chart
PCA : iPPI-DB chemical space
PCA : Correlation circle
Efficiencies: iPPI-DB biplot LE versus LLE
Summary
Bibliographic ressources Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 1 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
10.1016/j.chembiol.2012.08.015 13 VHL
P40337 		ELOB
Q15370 		Biochemical assay Isothermal Titration Calorimetry pKd (dissociation constant, -log10) 2.00
Ta Structure Name Drugbank ID
0.8308 Rapastinel DB11801
0.7606 Glypromate DB05633
0.7606 Trofinetide DB06045
0.7536 N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane DB04126
0.7468 BPC-157 DB11882
0.7397 N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline DB02855
0.7273 Oxaceprol DB13363
0.7143 Larazotide DB05645
0.7143 Sinapultide DB11332
0.7143 Davunetide DB12613
0.7143 Oxiracetam DB13601
0.7105 ABT-510 DB05434
0.7101 N-[(6S)-6-Carboxy-6-(glycylamino)hexanoyl]-D-alanyl-D-alanine DB02578
0.6936 Cyclo(prolylglycyl) DB04541
0.6849 Perindoprilat DB14213