Natural Product: NPC126681

Natural Product ID:  NPC126681
Common Name:   Glycine
IUPAC Name:   2-aminoacetic acid
Synonyms:   Aminoacetic Acid; Glycine; Glycocoll; Glycolixir
Molecular Formula:   C2H5NO2
Standard InCHIKey:  DHMQDGOQFOQNFH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
Canonical SMILES:  NCC(=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
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO1814 Euphorbia cattimandoo Species Euphorbiaceae Eukaryota UNPD*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO518 Mercurialis leiocarpa Species Euphorbiaceae Eukaryota UNPD*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO3456 Eucalyptus campanulata Species Myrtaceae Eukaryota UNPD*
NPO14964 Calvatia gigantea Species Lycoperdaceae Eukaryota TM-MC*
NPO15684 Bipolaris maydis Species Pleosporaceae Eukaryota UNPD*
NPO17030 Calvatia lilacina Species Lycoperdaceae Eukaryota TM-MC*
NPO6107 Acacia lemmoni Species Fabaceae Eukaryota UNPD*
NPO7161 Capparis angulata Species Capparaceae Eukaryota UNPD*
NPO1244 Trimusculus conica Species Trimusculidae Eukaryota UNPD*
NPO21845 Calvatia fenzlii Species Lycoperdaceae Eukaryota TM-MC*
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota TCM_Taiwan*
NPO16741.2 Codonopsis pilosula nannf. var. modesta (nannf.) l.t. shen Varieties Campanulaceae Eukaryota TCM_Taiwan*
NPO958 Tambja ceutae Species Polyceridae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TCM_Taiwan*
NPO4350 Chlorella pyrenoidosa Species Chlorellaceae Eukaryota UNPD*
NPO784 Sinapis alba Species Brassicaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO6951 Dictyota spinulosa Species Dictyotaceae Eukaryota UNPD*
NPO15147 Ficus simplicissima Species Moraceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO3913 Alcea nudiflora Species Malvaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO1659 Primula denticulata Species Primulaceae Eukaryota UNPD*
NPO241 Teucrium cossonii Species Lamiaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[22411374]
NPO4737 Arum ternatum thunb Species Araceae Eukaryota TCMSP*
NPO4411 Plantago ovata Species Plantaginaceae Eukaryota UNPD*
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota bile PMID[15780050]
NPO9249 Jujubae fructus NA NA NA TCMSP*
NPO6523 Streptococcus pneumoniae Species Streptococcaceae Bacteria UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[19259987]
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO16714 Campanula pendula Species Campanulaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO16497 Trichosanthes kirilowii maxim Species Cucurbitaceae Eukaryota TCMSP*
NPO5809 Xanthoparmelia tinctina Species Parmeliaceae Eukaryota UNPD*
NPO19048 Pinellia ternata Species Araceae Eukaryota TCM_Taiwan*
NPO22562 Atractylodes macrocephala koidz Species Asteraceae Eukaryota TCMSP*
NPO7377 Hemiphragma heterophyllum Species Plantaginaceae Eukaryota UNPD*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO5645 Silybum marianum Species Asteraceae Eukaryota TCMSP*
NPO4204 Ochradenus baccatus Species Resedaceae Eukaryota UNPD*
NPO21027 Daphnia magna Species Daphniidae Eukaryota PMID[20117838]
NPO29587 Euryales semen NA NA NA TCMSP*
NPO6345 Podocarpus sellowii Species Podocarpaceae Eukaryota UNPD*
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24678285]
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO3023 Achillea pratensis Species Asteraceae Eukaryota UNPD*
NPO2211 Solanum nigrum Species Solanaceae Eukaryota TCM_Taiwan*
NPO17691 Santalum album Species Santalaceae Eukaryota TCMSP*
NPO7093 Oncorhynchus keta Species Salmonidae Eukaryota UNPD*
NPO22659 Codonopsis subglobosa Species Campanulaceae Eukaryota TCM_Taiwan*
NPO27952 Rhizoma dioscoreae NA NA NA TCMSP*
NPO27244 Dysosma pleiantha Species Berberidaceae Eukaryota UNPD*
NPO30115 Aucklandia lappa NA NA NA TCM_Taiwan*
NPO26902 Vigna radiata Species Fabaceae Eukaryota TCMSP*
NPO798 Chloranthus holostegius Species Chloranthaceae Eukaryota UNPD*
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]
NPO2088 Bamusaeconcretiosilicea NA NA NA TCMSP*
NPO5739 Rubus foliolosus Species Rosaceae Eukaryota UNPD*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO22810 Streptomyces Species Streptomycetaceae Bacteria StreptomeDB*
NPO4847 Lasianthus wallichii Species Rubiaceae Eukaryota UNPD*
NPO7640 Klaseopsis chinensis Species Asteraceae Eukaryota UNPD*
NPO13452 Streptomyces hainanensis Species Streptomycetaceae Bacteria StreptomeDB*
NPO3528 Cinnamomum pedunculatum Species Lauraceae Eukaryota UNPD*
NPO4773 Pteromys volans Species Sciuridae Eukaryota UNPD*
NPO5681 Acorus gramineus Species Acoraceae Eukaryota TM-MC*
NPO10450 Clerodendrum infortunatum Species Lamiaceae Eukaryota UNPD*
NPO4125 Corydalis crystallina Species Papaveraceae Eukaryota UNPD*
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota TM-MC*
NPO6421 Neolitsea sericea Species Lauraceae Eukaryota UNPD*
NPO586 Lomandra hastilis Species Asparagaceae Eukaryota UNPD*
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota TM-MC*
NPO9099 Carissa spinarum Species Apocynaceae Eukaryota UNPD*
NPO6722 Anaphalis margaritacea Species Asteraceae Eukaryota UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO1977 Arum montanum Species Araceae Eukaryota UNPD*
NPO2339 Turnera ulmifolia Species Passifloraceae Eukaryota UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO4050 Boronia lanceolata Species Rutaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO29007 Brassica juncea Species Brassicaceae Eukaryota TM-MC*
NPO5518 Thuja dolabrata Species Cupressaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 = 690 nM 1433216
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus Ki = 170 nM 7966156
NPT2 Others Unspecified Activity = 109 % 1652018
NPT2 Others Unspecified IC50 = 6000 nM 2549245
NPT2 Others Unspecified EC50 = 840 nM 10893301
NPT2 Others Unspecified EC50 = 190 nM 10893301
NPT2 Others Unspecified EC50 = 150 nM 10893301
NPT2 Others Unspecified EC50 = 96 nM 10893301
NPT1163 Individual Protein Glutamate (NMDA) receptor subunit zeta 1 Rattus norvegicus IC50 = 250 nM 10360746
NPT2 Others Unspecified EC50 = 68 nM 10360746
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 = 200 nM 7990104
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus EC50 = 200 nM 7990104
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 = 86 nM 8093907
NPT2 Others Unspecified EC50 = 500000 nM 12729634
NPT1163 Individual Protein Glutamate (NMDA) receptor subunit zeta 1 Rattus norvegicus IC50 = 6200 nM 1310117
NPT2 Others Unspecified IC50 = 15800 nM 16942030
NPT2 Others Unspecified IC50 = 15800 nM 17411024
NPT426 Individual Protein Glycine receptor subunit alpha-1 Homo sapiens EC50 = 94000 nM 17722904
NPT426 Individual Protein Glycine receptor subunit alpha-1 Homo sapiens EC50 = 95499.26 nM 17722904
NPT2 Others Unspecified Ki = 125.89 nM 19642674
NPT605 Organism Homo sapiens Homo sapiens Activity = 1 % 20022146
NPT32 Organism Mus musculus Mus musculus Activity = 10.13 % 20833035
NPT32 Organism Mus musculus Mus musculus Activity = 11.21 % 20833035
NPT32 Organism Mus musculus Mus musculus Activity = 11.31 % 20833035
NPT32 Organism Mus musculus Mus musculus Activity = 12.03 % 20833035
NPT32 Organism Mus musculus Mus musculus Activity = 11.54 % 20833035
NPT32 Organism Mus musculus Mus musculus Activity = 10.96 % 20833035
NPT2 Others Unspecified IC50 = 223 nM 20875743
NPT815 Individual Protein GABA transporter 3 Mus musculus IC50 = 2238721.14 nM 21353350
NPT816 Individual Protein GABA transporter 4 Mus musculus IC50 = 1348962.88 nM 21353350
NPT2 Others Unspecified IC50 = 3090295.43 nM 21353350
NPT813 Individual Protein GABA transporter 1 Mus musculus Activity = 59.8 % 21353350
NPT1006 Individual Protein Proton-coupled amino acid transporter 1 Homo sapiens Ki = 5100000 nM 21955456
NPT813 Individual Protein GABA transporter 1 Mus musculus Inhibition = 83.1 % 21940173
NPT815 Individual Protein GABA transporter 3 Mus musculus Inhibition = 60.7 % 21940173
NPT816 Individual Protein GABA transporter 4 Mus musculus Inhibition = 49.3 % 21940173
NPT816 Individual Protein GABA transporter 4 Mus musculus Inhibition = 69.7 % 21940173
NPT2 Others Unspecified IC50 > 50000000 nM 21657271
NPT1517 Individual Protein Glycine transporter 1 Homo sapiens IC50 = 31600 nM 24461352
NPT2 Others Unspecified Potency 0.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8485.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5172.1 nM PubChem BioAssay data set
NPT646 Individual Protein Serine racemase Homo sapiens Ki = 366000 nM 25066953
NPT2 Others Unspecified AC50 1258.9 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 4466.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 2818.4 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 NPC126681 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
0.8125 Intermediate Similarity NPC134570
0.7879 Intermediate Similarity NPC116709
0.7879 Intermediate Similarity NPC21290
0.7879 Intermediate Similarity NPC272614
0.7647 Intermediate Similarity NPC63621
0.7647 Intermediate Similarity NPC69179
0.7647 Intermediate Similarity NPC216443
0.75 Intermediate Similarity NPC114517
0.7027 Intermediate Similarity NPC237525
0.7027 Intermediate Similarity NPC53449
0.7027 Intermediate Similarity NPC121517
0.7027 Intermediate Similarity NPC168375
0.7027 Intermediate Similarity NPC326992
0.7027 Intermediate Similarity NPC326212
0.697 Remote Similarity NPC260324
0.6842 Remote Similarity NPC110533
0.6842 Remote Similarity NPC326808
0.6842 Remote Similarity NPC219143
0.6842 Remote Similarity NPC226265
0.6842 Remote Similarity NPC254482
0.6842 Remote Similarity NPC317691
0.6667 Remote Similarity NPC167986
0.6667 Remote Similarity NPC230597
0.6667 Remote Similarity NPC291186
0.65 Remote Similarity NPC40511
0.65 Remote Similarity NPC325097
0.65 Remote Similarity NPC198301
0.65 Remote Similarity NPC132307
0.65 Remote Similarity NPC126925
0.6486 Remote Similarity NPC18188
0.6389 Remote Similarity NPC9294
0.6341 Remote Similarity NPC208793
0.6341 Remote Similarity NPC329263
0.6341 Remote Similarity NPC327698
0.6341 Remote Similarity NPC118459
0.6341 Remote Similarity NPC285322
0.6333 Remote Similarity NPC262962
0.619 Remote Similarity NPC228932
0.619 Remote Similarity NPC185755
0.619 Remote Similarity NPC213876
0.619 Remote Similarity NPC297220
0.619 Remote Similarity NPC309658
0.619 Remote Similarity NPC136476
0.619 Remote Similarity NPC49952
0.6176 Remote Similarity NPC59650
0.6154 Remote Similarity NPC66043
0.6047 Remote Similarity NPC316168
0.6047 Remote Similarity NPC181588
0.6047 Remote Similarity NPC136159
0.6047 Remote Similarity NPC118187
0.6047 Remote Similarity NPC204364
0.5926 Remote Similarity NPC68873
0.5909 Remote Similarity NPC153370
0.5909 Remote Similarity NPC93081
0.5909 Remote Similarity NPC140872
0.5909 Remote Similarity NPC318523
0.5897 Remote Similarity NPC274550
0.5897 Remote Similarity NPC327250
0.5854 Remote Similarity NPC276294
0.5814 Remote Similarity NPC195448
0.5778 Remote Similarity NPC193989
0.5778 Remote Similarity NPC170739
0.5778 Remote Similarity NPC328378
0.5778 Remote Similarity NPC152451
0.5778 Remote Similarity NPC93888
0.5778 Remote Similarity NPC84636
0.5778 Remote Similarity NPC162620
0.5778 Remote Similarity NPC324825
0.5778 Remote Similarity NPC245027
0.5778 Remote Similarity NPC316231
0.5778 Remote Similarity NPC43204
0.5778 Remote Similarity NPC286989
0.5778 Remote Similarity NPC112890
0.5778 Remote Similarity NPC270805
0.5778 Remote Similarity NPC226027
0.5778 Remote Similarity NPC62045
0.5778 Remote Similarity NPC174246
0.5714 Remote Similarity NPC323974
0.5682 Remote Similarity NPC101249
0.5652 Remote Similarity NPC137958
0.5652 Remote Similarity NPC315977
0.5652 Remote Similarity NPC114990
0.5652 Remote Similarity NPC319175
0.5652 Remote Similarity NPC125736
0.5652 Remote Similarity NPC273330

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC126681 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
1.0 High Similarity NPD7371 Approved
0.9231 High Similarity NPD7368 Approved
0.9231 High Similarity NPD51 Approved
0.9231 High Similarity NPD7367 Approved
0.7879 Intermediate Similarity NPD8210 Phase 3
0.7879 Intermediate Similarity NPD8211 Approved
0.6842 Remote Similarity NPD8216 Approved
0.6842 Remote Similarity NPD8217 Clinical (unspecified phase)
0.6842 Remote Similarity NPD8214 Approved
0.6842 Remote Similarity NPD8215 Approved
0.6765 Remote Similarity NPD8800 Approved
0.6667 Remote Similarity NPD8805 Approved
0.6667 Remote Similarity NPD8804 Approved
0.65 Remote Similarity NPD8798 Approved
0.6486 Remote Similarity NPD8623 Phase 1
0.6341 Remote Similarity NPD8610 Approved
0.619 Remote Similarity NPD8982 Approved
0.619 Remote Similarity NPD8801 Approved
0.6176 Remote Similarity NPD8796 Approved
0.6176 Remote Similarity NPD8799 Approved
0.6176 Remote Similarity NPD8795 Approved
0.6047 Remote Similarity NPD8208 Clinical (unspecified phase)
0.6047 Remote Similarity NPD8209 Phase 2
0.6047 Remote Similarity NPD8810 Clinical (unspecified phase)
0.6 Remote Similarity NPD8609 Approved
0.5926 Remote Similarity NPD7364 Approved
0.5909 Remote Similarity NPD8614 Approved
0.5909 Remote Similarity NPD8808 Approved
0.5909 Remote Similarity NPD8809 Approved
0.5909 Remote Similarity NPD8873 Approved
0.5814 Remote Similarity NPD8621 Approved
0.5778 Remote Similarity NPD9016 Clinical (unspecified phase)
0.5778 Remote Similarity NPD8803 Clinical (unspecified phase)
0.5778 Remote Similarity NPD8624 Approved
0.5778 Remote Similarity NPD9018 Approved
0.5778 Remote Similarity NPD9021 Approved
0.5778 Remote Similarity NPD9044 Approved
0.5778 Remote Similarity NPD8802 Approved
0.5778 Remote Similarity NPD9017 Approved
0.575 Remote Similarity NPD331 Approved
0.575 Remote Similarity NPD335 Approved
0.5714 Remote Similarity NPD9019 Approved
0.5682 Remote Similarity NPD8867 Approved
0.5682 Remote Similarity NPD8866 Approved
0.5652 Remote Similarity NPD8872 Phase 3
0.5652 Remote Similarity NPD8871 Approved
0.5652 Remote Similarity NPD9025 Approved
0.561 Remote Similarity NPD334 Phase 3
0.561 Remote Similarity NPD1433 Approved
0.561 Remote Similarity NPD1437 Approved

Structure

External Identifiers

PubChem CID   750;5257127
ChEMBL   CHEMBL773
ZINC  

Physicochemical Properties

Molecular Weight:  75.03
ALogP:  -1.1915
MLogP:  1.35
XLogP:  -3.35
# Rotatable Bonds:  3
Polar Surface Area:  63.32
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  5

Download Data

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