Natural Product: NPC134570

Natural Product ID:  NPC134570
Common Name:   Sarcosine
IUPAC Name:   2-(methylamino)acetic acid
Synonyms:   Methylamino-Acetic Acid; Sarcosine
Molecular Formula:   C3H7NO2
Standard InCHIKey:  FSYKKLYZXJSNPZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
Canonical SMILES:  CNCC(=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
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota TM-MC*
NPO2554 Biancaea sappan Species Fabaceae Eukaryota TCMID*
NPO29132 Agaricus campestris Species Agaricaceae Eukaryota TCMID*
NPO11969 Cyprinus carpio Species Cyprinidae Eukaryota TCMID*
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota TCMID*
NPO11969 Cyprinus carpio Species Cyprinidae Eukaryota TCM_Taiwan*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-015-0840-5]
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[19309105]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[6207480]
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[20669995]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO29132 Agaricus campestris Species Agaricaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 350000 nM 2549245
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 100000 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 4147.5 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1995.3 nM PubChem BioAssay data set
NPT1006 Individual Protein Proton-coupled amino acid transporter 1 Homo sapiens Ki = 1900000 nM 21955456
NPT10 Individual Protein Geminin Homo sapiens Potency 183.6 nM PubChem BioAssay data set
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 35481.3 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 NPC134570 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
0.8857 High Similarity NPC216443
0.8125 Intermediate Similarity NPC126681
0.8 Intermediate Similarity NPC198301
0.7561 Intermediate Similarity NPC40511
0.7429 Intermediate Similarity NPC59650
0.7105 Intermediate Similarity NPC21290
0.7105 Intermediate Similarity NPC116709
0.7105 Intermediate Similarity NPC272614
0.6923 Remote Similarity NPC69179
0.6818 Remote Similarity NPC195448
0.6757 Remote Similarity NPC260324
0.6585 Remote Similarity NPC274550
0.65 Remote Similarity NPC63621
0.6458 Remote Similarity NPC200550
0.6458 Remote Similarity NPC155156
0.6429 Remote Similarity NPC326992
0.6429 Remote Similarity NPC168375
0.6429 Remote Similarity NPC121517
0.6429 Remote Similarity NPC53449
0.6316 Remote Similarity NPC114517
0.6154 Remote Similarity NPC328729
0.6136 Remote Similarity NPC167986
0.6136 Remote Similarity NPC291186
0.6087 Remote Similarity NPC297220
0.6047 Remote Similarity NPC326212
0.6047 Remote Similarity NPC237525
0.6 Remote Similarity NPC132307
0.6 Remote Similarity NPC325097
0.6 Remote Similarity NPC126925
0.5909 Remote Similarity NPC326808
0.5909 Remote Similarity NPC226265
0.5909 Remote Similarity NPC254482
0.5909 Remote Similarity NPC317691
0.5909 Remote Similarity NPC110533
0.5909 Remote Similarity NPC219143
0.587 Remote Similarity NPC327698
0.587 Remote Similarity NPC118459
0.5854 Remote Similarity NPC9294
0.5854 Remote Similarity NPC1591
0.5849 Remote Similarity NPC283786
0.5814 Remote Similarity NPC327250
0.5741 Remote Similarity NPC11433
0.5741 Remote Similarity NPC245346
0.5741 Remote Similarity NPC302003
0.5714 Remote Similarity NPC328378
0.5682 Remote Similarity NPC66043
0.5636 Remote Similarity NPC276928
0.5636 Remote Similarity NPC64250
0.5636 Remote Similarity NPC268927
0.5625 Remote Similarity NPC204364

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC134570 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
0.8125 Intermediate Similarity NPD7371 Approved
0.8 Intermediate Similarity NPD8800 Approved
0.75 Intermediate Similarity NPD7368 Approved
0.75 Intermediate Similarity NPD51 Approved
0.75 Intermediate Similarity NPD7367 Approved
0.7429 Intermediate Similarity NPD8795 Approved
0.7429 Intermediate Similarity NPD8799 Approved
0.7429 Intermediate Similarity NPD8796 Approved
0.7105 Intermediate Similarity NPD8211 Approved
0.7105 Intermediate Similarity NPD8210 Phase 3
0.6818 Remote Similarity NPD8621 Approved
0.6429 Remote Similarity NPD335 Approved
0.6429 Remote Similarity NPD331 Approved
0.6279 Remote Similarity NPD1433 Approved
0.6279 Remote Similarity NPD1437 Approved
0.6279 Remote Similarity NPD334 Phase 3
0.6154 Remote Similarity NPD8556 Phase 3
0.6136 Remote Similarity NPD8805 Approved
0.6136 Remote Similarity NPD8804 Approved
0.6 Remote Similarity NPD8798 Approved
0.6 Remote Similarity NPD2260 Approved
0.6 Remote Similarity NPD2261 Phase 3
0.5962 Remote Similarity NPD8864 Clinical (unspecified phase)
0.5952 Remote Similarity NPD336 Approved
0.5952 Remote Similarity NPD333 Approved
0.5952 Remote Similarity NPD332 Approved
0.5952 Remote Similarity NPD330 Approved
0.5909 Remote Similarity NPD8217 Clinical (unspecified phase)
0.5909 Remote Similarity NPD8214 Approved
0.5909 Remote Similarity NPD8215 Approved
0.5909 Remote Similarity NPD8216 Approved
0.5882 Remote Similarity NPD8545 Approved
0.5854 Remote Similarity NPD9235 Approved
0.5854 Remote Similarity NPD9236 Approved
0.5814 Remote Similarity NPD1438 Approved
0.5814 Remote Similarity NPD1434 Approved
0.5814 Remote Similarity NPD1435 Approved
0.5814 Remote Similarity NPD1436 Approved
0.5745 Remote Similarity NPD8801 Approved
0.5741 Remote Similarity NPD8848 Approved
0.5741 Remote Similarity NPD8865 Approved
0.5714 Remote Similarity NPD2264 Approved
0.5714 Remote Similarity NPD2265 Approved

Structure

External Identifiers

PubChem CID   1088;7311726
ChEMBL   CHEMBL304383
ZINC  

Physicochemical Properties

Molecular Weight:  89.05
ALogP:  -0.7597
MLogP:  1.46
XLogP:  -0.794
# Rotatable Bonds:  4
Polar Surface Area:  49.33
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  6

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