Natural Product: NPC326378

Natural Product ID:  NPC326378
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C2H4N2O2
Standard InCHIKey:  LJHFIVQEAFAURQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H
Canonical SMILES:  ON=CC=NO
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
NPO1797 Homo sapiens Species Hominidae Eukaryota PMID[25518943]
NPO1797 Homo sapiens Species Hominidae Eukaryota PMID[26839171]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 17228.9 nM PubChem BioAssay data set

  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 NPC326378 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
0.64 Remote Similarity NPC319972

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC326378 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
0.64 Remote Similarity NPD7369 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3185538
ZINC  

Physicochemical Properties

Molecular Weight:  88.03
ALogP:  0.82
MLogP:  1.24
XLogP:  -0.04
# Rotatable Bonds:  3
Polar Surface Area:  65.18
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  6

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs