Natural Product: NPC230597

Natural Product ID:  NPC230597
Common Name:   Oxamate
IUPAC Name:   oxamic acid
Synonyms:   Oxalamic acid; Oxamate; Oxamic Acid
Molecular Formula:   C2H3NO3
Standard InCHIKey:  SOWBFZRMHSNYGE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
Canonical SMILES:  OC(=O)C(=O)N
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
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT807 Individual Protein Gamma-amino-N-butyrate transaminase Rattus norvegicus Inhibition = 60 % 6276545
NPT3717 Individual Protein Lactate dehydrogenase Plasmodium falciparum IC50 = 92500 nM 17636950
NPT2 Others Unspecified IC50 = 123000 nM 17636950
NPT3718 Individual Protein Malate dehydrogenase Plasmodium falciparum IC50 > 2000000 nM 17636950
NPT2684 Individual Protein Malate dehydrogenase mitochondrial Sus scrofa IC50 > 2000000 nM 17636950
NPT3719 Individual Protein Malate dehydrogenase cytoplasmic Sus scrofa IC50 > 2000000 nM 17636950
NPT644 Individual Protein L-lactate dehydrogenase A chain Homo sapiens Ki = 138000 nM 21332213
NPT71 Cell Line HEK293 Homo sapiens Potency 23099.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT644 Individual Protein L-lactate dehydrogenase A chain Homo sapiens Inhibition = 56 % 23302067
NPT644 Individual Protein L-lactate dehydrogenase A chain Homo sapiens Inhibition = 48 % 23302067
NPT644 Individual Protein L-lactate dehydrogenase A chain Homo sapiens Ki = 26000 nM 23302067
NPT2 Others Unspecified IC50 = 25000000 nM 23628333
NPT3727 Individual Protein L-lactate dehydrogenase B chain Homo sapiens IC50 = 33800 nM 23628333
NPT644 Individual Protein L-lactate dehydrogenase A chain Homo sapiens IC50 = 57200 nM 23628333
NPT104 Individual Protein Cerebroside-sulfatase Homo sapiens Potency 47.8 nM PubChem BioAssay data set
NPT3727 Individual Protein L-lactate dehydrogenase B chain Homo sapiens IC50 = 33800 nM 25037916
NPT644 Individual Protein L-lactate dehydrogenase A chain Homo sapiens IC50 = 57200 nM 25037916
NPT2427 Cell Line HCC1954 Homo sapiens IC50 = 25000000 nM 25037916
NPT644 Individual Protein L-lactate dehydrogenase A chain Homo sapiens Ki = 138000 nM 26597536
NPT644 Individual Protein L-lactate dehydrogenase A chain Homo sapiens Ki = 136000 nM 26340601
NPT3727 Individual Protein L-lactate dehydrogenase B chain Homo sapiens Ki = 94400 nM 26340601

  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 NPC230597 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
0.6667 Remote Similarity NPC126681

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC230597 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
0.6667 Remote Similarity NPD7371 Approved
0.6 Remote Similarity NPD7368 Approved
0.6 Remote Similarity NPD7367 Approved
0.6 Remote Similarity NPD51 Approved

Structure

External Identifiers

PubChem CID   974
ChEMBL   CHEMBL15976
ZINC  

Physicochemical Properties

Molecular Weight:  89.01
ALogP:  -0.8746
MLogP:  1.24
XLogP:  -1.416
# Rotatable Bonds:  3
Polar Surface Area:  80.39
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  6

Download Data

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Biological Activities  
Similar NPs/Drugs