Natural Product: NPC33721

Natural Product ID:  NPC33721
Common Name:   Succinimide
IUPAC Name:   pyrrolidine-2,5-dione
Synonyms:   Succinimide
Molecular Formula:   C4H5NO2
Standard InCHIKey:  KZNICNPSHKQLFF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
Canonical SMILES:  OC1=NC(=O)CC1
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO18805 Tripolium pannonicum Species Asteraceae Eukaryota UNPD*
NPO21854 Pterocladiella tenuis Species Gelidiaceae Eukaryota UNPD*
NPO10540 Passiflora incarnata Species Passifloraceae Eukaryota UNPD*
NPO210 Uvaria calamistrata Species Annonaceae Eukaryota UNPD*
NPO11642 Dacrydium cupressinum Species Podocarpaceae Eukaryota UNPD*
NPO731 Panax schinseng Species Araliaceae Eukaryota UNPD*
NPO13166 Nicotiana undulata Species Solanaceae Eukaryota UNPD*
NPO19635 Coreopsis nodosa Species Asteraceae Eukaryota UNPD*
NPO5189 Glycine tomentella Species Fabaceae Eukaryota UNPD*
NPO22666 Haematococcus lacustris Species Haematococcaceae Eukaryota UNPD*
NPO11248 Tachigalia paniculata NA NA NA UNPD*
NPO7998 Senecio paludaffinis Species Asteraceae Eukaryota UNPD*
NPO14255 Streptomyces flocculus Species Streptomycetaceae Bacteria UNPD*
NPO14354 Artemisia cina Species Asteraceae Eukaryota UNPD*
NPO2494 Xanthium strumarium Species Asteraceae Eukaryota UNPD*
NPO13568 Hypoxylon rubiginosum Species Xylariaceae Eukaryota UNPD*
NPO11488 Alstonia muelleriana Species Apocynaceae Eukaryota UNPD*
NPO12001 Saccharomyces pastori Species Saccharomycetaceae Eukaryota UNPD*
NPO12684 Trigonella grandiflora Species Fabaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TM-MC*
NPO18030 Herba acalyphae NA NA NA TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Inhibition = 2 % 3965717
NPT32 Organism Mus musculus Mus musculus Inhibition = 27 % 3965717
NPT32 Organism Mus musculus Mus musculus Inhibition = 32 % 3965717
NPT1572 Protein Family Glycogen synthase kinase-3 Homo sapiens IC50 > 100000 nM 16279768
NPT2607 Individual Protein Cereblon isoform 4 Magnetospirillum gryphiswaldense IC50 = 7600 nM 26730808
NPT2608 Individual Protein Protein cereblon Homo sapiens IC50 = 34500 nM 26730808
NPT2 Others Unspecified IC50 = 6700 nM 26730808
NPT2 Others Unspecified IC50 = 53000 nM 26730808
NPT2607 Individual Protein Cereblon isoform 4 Magnetospirillum gryphiswaldense Ki = 4300 nM 26730808
NPT2608 Individual Protein Protein cereblon Homo sapiens Ki = 26200 nM 26730808
NPT2 Others Unspecified Ki = 5800 nM 26730808
NPT2 Others Unspecified Ki = 47800 nM 26730808

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC33721 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8 Intermediate Similarity NPC21142
0.7368 Intermediate Similarity NPC145895
0.66 Remote Similarity NPC29950
0.66 Remote Similarity NPC19576
0.6486 Remote Similarity NPC290188
0.6078 Remote Similarity NPC327239
0.5962 Remote Similarity NPC471131
0.5833 Remote Similarity NPC43264
0.5789 Remote Similarity NPC292299
0.5789 Remote Similarity NPC34838
0.569 Remote Similarity NPC263207

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC33721 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD8576 Approved
0.8 Intermediate Similarity NPD9200 Approved
0.66 Remote Similarity NPD8846 Approved
0.66 Remote Similarity NPD61 Approved
0.66 Remote Similarity NPD8847 Approved
0.6042 Remote Similarity NPD9658 Clinical (unspecified phase)
0.5952 Remote Similarity NPD8572 Approved

Structure

External Identifiers

PubChem CID   11439
ChEMBL   CHEMBL275661
ZINC  

Physicochemical Properties

Molecular Weight:  99.03
ALogP:  -0.7817
MLogP:  1.57
XLogP:  -0.312
# Rotatable Bonds:  1
Polar Surface Area:  49.66
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  7

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Similar NPs/Drugs