Natural Product: NPC316272

Natural Product ID:  NPC316272
Common Name:   Methoxyacetic Acid
IUPAC Name:   2-methoxyacetic acid
Synonyms:   Methoxyacetic Acid
Molecular Formula:   C3H6O3
Standard InCHIKey:  RMIODHQZRUFFFF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
Canonical SMILES:  COCC(=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
NPO32012 Streptomyces cs Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22467.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12299.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54941 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62812.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 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 NPC316272 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
0.8148 Intermediate Similarity NPC165122
0.7667 Intermediate Similarity NPC232172
0.7576 Intermediate Similarity NPC325165
0.7353 Intermediate Similarity NPC103612
0.7353 Intermediate Similarity NPC24967
0.7188 Intermediate Similarity NPC76217
0.7188 Intermediate Similarity NPC307739
0.6786 Remote Similarity NPC307812
0.6765 Remote Similarity NPC140229
0.6667 Remote Similarity NPC144829
0.6667 Remote Similarity NPC329270
0.6538 Remote Similarity NPC137050
0.6538 Remote Similarity NPC68873
0.6389 Remote Similarity NPC5505
0.6364 Remote Similarity NPC5934
0.6296 Remote Similarity NPC301950
0.625 Remote Similarity NPC88135
0.6207 Remote Similarity NPC23508
0.6176 Remote Similarity NPC212144
0.6129 Remote Similarity NPC286233
0.6 Remote Similarity NPC237965
0.6 Remote Similarity NPC318912
0.6 Remote Similarity NPC110107
0.5946 Remote Similarity NPC159089
0.5926 Remote Similarity NPC283245
0.5897 Remote Similarity NPC474205
0.5897 Remote Similarity NPC316217
0.5897 Remote Similarity NPC225963
0.5897 Remote Similarity NPC222792
0.5862 Remote Similarity NPC181153
0.5806 Remote Similarity NPC304786
0.5806 Remote Similarity NPC41485
0.5806 Remote Similarity NPC32280
0.5806 Remote Similarity NPC3693
0.5778 Remote Similarity NPC477778
0.5714 Remote Similarity NPC173862
0.5714 Remote Similarity NPC281883
0.5714 Remote Similarity NPC37493
0.5667 Remote Similarity NPC8187
0.5625 Remote Similarity NPC317724
0.5625 Remote Similarity NPC128335
0.5625 Remote Similarity NPC166804
0.5625 Remote Similarity NPC127134
0.5625 Remote Similarity NPC201132

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC316272 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
0.7419 Intermediate Similarity NPD8204 Approved
0.7419 Intermediate Similarity NPD8206 Approved
0.7419 Intermediate Similarity NPD54 Approved
0.7419 Intermediate Similarity NPD55 Approved
0.7419 Intermediate Similarity NPD8203 Approved
0.7188 Intermediate Similarity NPD8202 Approved
0.7188 Intermediate Similarity NPD8205 Approved
0.6923 Remote Similarity NPD7357 Approved
0.6923 Remote Similarity NPD7356 Approved
0.6538 Remote Similarity NPD7364 Approved
0.6364 Remote Similarity NPD8856 Phase 2
0.6296 Remote Similarity NPD7352 Approved
0.6129 Remote Similarity NPD8189 Approved
0.5862 Remote Similarity NPD8201 Phase 2
0.5714 Remote Similarity NPD9636 Phase 2
0.5625 Remote Similarity NPD8989 Approved

Structure

External Identifiers

PubChem CID   12251
ChEMBL   CHEMBL1697714
ZINC  

Physicochemical Properties

Molecular Weight:  90.03
ALogP:  -0.4934
MLogP:  1.46
XLogP:  -0.598
# Rotatable Bonds:  4
Polar Surface Area:  46.53
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  6

Download Data

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Biological Activities  
Similar NPs/Drugs