Natural Product: NPC326633

Natural Product ID:  NPC326633
Common Name:   N-(6-Amino-3-Methyl-2,4-Dioxo-1H-Pyrimidin-5-Yl)Acetamide
IUPAC Name:   N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
Synonyms:  
Molecular Formula:   C7H10N4O3
Standard InCHIKey:  POQOTWQIYYNXAT-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14)
Canonical SMILES:  CC(=Nc1c(N)nc(n(c1=O)C)O)O
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 urine PMID[11393735]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 751.9 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 NPC326633 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
0.5676 Remote Similarity NPC40598
0.5634 Remote Similarity NPC148178

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC326633 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
0.6026 Remote Similarity NPD1060 Clinical (unspecified phase)
0.5821 Remote Similarity NPD583 Approved
0.5821 Remote Similarity NPD584 Approved
0.5821 Remote Similarity NPD843 Clinical (unspecified phase)
0.5821 Remote Similarity NPD581 Approved
0.5652 Remote Similarity NPD562 Approved

Structure

External Identifiers

PubChem CID   88299
ChEMBL   CHEMBL1899490
ZINC  

Physicochemical Properties

Molecular Weight:  198.08
ALogP:  -0.887
MLogP:  1.46
XLogP:  -1.195
# Rotatable Bonds:  6
Polar Surface Area:  111.51
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  14

Download Data

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Similar NPs/Drugs