Natural Product: NPC329270

Natural Product ID:  NPC329270
Common Name:   Phosphoglycolic Acid
IUPAC Name:   2-phosphonooxyacetic acid
Synonyms:   2-Phosphoglycolatephosphonooxy-Acetic Acid; Phosphonooxy-Acetic Acid Anion
Molecular Formula:   C2H5O6P
Standard InCHIKey:  ASCFNMCAHFUBCO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
Canonical SMILES:  OC(=O)COP(=O)(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
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
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
NPT2 Others Unspecified EC50 = 707000 nM 12383012

  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 NPC329270 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
0.7632 Intermediate Similarity NPC325307
0.7632 Intermediate Similarity NPC322956
0.7333 Intermediate Similarity NPC317545
0.7333 Intermediate Similarity NPC165122
0.725 Intermediate Similarity NPC318951
0.725 Intermediate Similarity NPC320624
0.7105 Intermediate Similarity NPC116125
0.6842 Remote Similarity NPC328950
0.6667 Remote Similarity NPC316272
0.6444 Remote Similarity NPC328954
0.6207 Remote Similarity NPC301950
0.6129 Remote Similarity NPC307812
0.6111 Remote Similarity NPC266566
0.6111 Remote Similarity NPC31433
0.6111 Remote Similarity NPC307739
0.6111 Remote Similarity NPC321170
0.6111 Remote Similarity NPC76217
0.5938 Remote Similarity NPC314978
0.5897 Remote Similarity NPC159089
0.5641 Remote Similarity NPC325165

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC329270 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
0.6286 Remote Similarity NPD8204 Approved
0.6286 Remote Similarity NPD8236 Phase 1
0.6286 Remote Similarity NPD8206 Approved
0.6286 Remote Similarity NPD55 Approved
0.6286 Remote Similarity NPD54 Approved
0.6286 Remote Similarity NPD8203 Approved
0.6286 Remote Similarity NPD8234 Approved
0.6286 Remote Similarity NPD8235 Approved
0.6207 Remote Similarity NPD7352 Approved
0.6207 Remote Similarity NPD7357 Approved
0.6207 Remote Similarity NPD7356 Approved
0.6111 Remote Similarity NPD8237 Approved
0.6111 Remote Similarity NPD8205 Approved
0.6111 Remote Similarity NPD8202 Approved
0.6061 Remote Similarity NPD8219 Approved
0.6061 Remote Similarity NPD8220 Approved
0.5938 Remote Similarity NPD8559 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   529
ChEMBL   CHEMBL47181
ZINC  

Physicochemical Properties

Molecular Weight:  155.98
ALogP:  -0.8377
MLogP:  0.91
XLogP:  -2.346
# Rotatable Bonds:  6
Polar Surface Area:  113.87
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  9

Download Data

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Similar NPs/Drugs