Natural Product: NPC326364

Natural Product ID:  NPC326364
Common Name:   Pyrimidine
IUPAC Name:   pyrimidine
Synonyms:   Pyrimidine
Molecular Formula:   C4H4N2
Standard InCHIKey:  CZPWVGJYEJSRLH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
Canonical SMILES:  c1ccncn1
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 saliva DOI[10.1007/s11306-015-0840-5]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]
NPO21027 Daphnia magna Species Daphniidae Eukaryota PMID[20117838]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT300 Individual Protein Thromboxane-A synthase Homo sapiens Inhibition = 12 % 7199089

  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 NPC326364 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
0.9213 High Similarity NPC476128
0.8265 Intermediate Similarity NPC222061
0.81 Intermediate Similarity NPC27699
0.7379 Intermediate Similarity NPC163105
0.7255 Intermediate Similarity NPC75844
0.7103 Intermediate Similarity NPC329046
0.7027 Intermediate Similarity NPC68938
0.6346 Remote Similarity NPC9639
0.6296 Remote Similarity NPC273327
0.6239 Remote Similarity NPC84268
0.6204 Remote Similarity NPC187191
0.6204 Remote Similarity NPC174114
0.6204 Remote Similarity NPC326248
0.6204 Remote Similarity NPC87981
0.6091 Remote Similarity NPC111132
0.6036 Remote Similarity NPC18335
0.5982 Remote Similarity NPC155498
0.5957 Remote Similarity NPC100312
0.5932 Remote Similarity NPC248627
0.5922 Remote Similarity NPC14223
0.5809 Remote Similarity NPC197068
0.5789 Remote Similarity NPC204104
0.5776 Remote Similarity NPC312187
0.5776 Remote Similarity NPC4837
0.5769 Remote Similarity NPC321929
0.5729 Remote Similarity NPC270637
0.5714 Remote Similarity NPC83987
0.5657 Remote Similarity NPC237936
0.5648 Remote Similarity NPC196580
0.563 Remote Similarity NPC327613
0.5614 Remote Similarity NPC476564

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC326364 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
0.9011 High Similarity NPD9193 Approved
0.9011 High Similarity NPD9194 Approved
0.8333 Intermediate Similarity NPD8565 Clinical (unspecified phase)
0.81 Intermediate Similarity NPD8571 Phase 3
0.7387 Intermediate Similarity NPD420 Discontinued
0.7257 Intermediate Similarity NPD1734 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD8566 Approved
0.7075 Intermediate Similarity NPD9071 Phase 3
0.7009 Intermediate Similarity NPD2191 Discontinued
0.675 Remote Similarity NPD1705 Discontinued
0.6721 Remote Similarity NPD3678 Phase 2
0.6667 Remote Similarity NPD4763 Clinical (unspecified phase)
0.6581 Remote Similarity NPD306 Approved
0.656 Remote Similarity NPD2602 Clinical (unspecified phase)
0.6406 Remote Similarity NPD4765 Approved
0.6406 Remote Similarity NPD4764 Approved
0.6364 Remote Similarity NPD9366 Approved
0.632 Remote Similarity NPD1264 Phase 2
0.6308 Remote Similarity NPD2618 Phase 1
0.6091 Remote Similarity NPD8861 Approved
0.6091 Remote Similarity NPD8859 Approved
0.6091 Remote Similarity NPD8862 Approved
0.6074 Remote Similarity NPD1988 Phase 1
0.6048 Remote Similarity NPD8832 Approved
0.6036 Remote Similarity NPD8836 Approved
0.6029 Remote Similarity NPD4709 Approved
0.5968 Remote Similarity NPD8826 Approved
0.5899 Remote Similarity NPD427 Approved
0.5899 Remote Similarity NPD162 Approved
0.5899 Remote Similarity NPD428 Approved
0.5899 Remote Similarity NPD426 Approved
0.5896 Remote Similarity NPD174 Discontinued
0.5878 Remote Similarity NPD799 Phase 1
0.5775 Remote Similarity NPD491 Approved
0.5769 Remote Similarity NPD8827 Approved
0.5758 Remote Similarity NPD8584 Approved
0.5734 Remote Similarity NPD5969 Clinical (unspecified phase)
0.5714 Remote Similarity NPD757 Phase 3
0.5714 Remote Similarity NPD2140 Approved
0.5714 Remote Similarity NPD2142 Approved
0.5714 Remote Similarity NPD2141 Approved
0.5657 Remote Similarity NPD8186 Phase 1
0.5657 Remote Similarity NPD8185 Discontinued
0.5655 Remote Similarity NPD5300 Clinical (unspecified phase)
0.5606 Remote Similarity NPD809 Discontinued

Structure

External Identifiers

PubChem CID   9260
ChEMBL   CHEMBL15562
ZINC  

Physicochemical Properties

Molecular Weight:  80.04
ALogP:  0
MLogP:  1.68
XLogP:  0.469
# Rotatable Bonds:  0
Polar Surface Area:  25.78
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  6

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Similar NPs/Drugs