Natural Product: NPC69179

Natural Product ID:  NPC69179
Common Name:   Gly-Gly
IUPAC Name:   2-[(2-aminoacetyl)amino]acetic acid
Synonyms:   2-(2-Aminoacetamido)Acetic Acid; Gly-Gly
Molecular Formula:   C4H8N2O3
Standard InCHIKey:  YMAWOPBAYDPSLA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
Canonical SMILES:  NCC(=NCC(=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
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[21543078]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[22308371]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[19212411]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Ki = 1000000 nM 14667225
NPT1166 Individual Protein Angiotensin-converting enzyme Homo sapiens IC50 = 7244359.6 nM 7629809
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Ki = 1000000 nM 15974593
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens EC50 = 480000 nM 16759105
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens IC50 = 820000 nM 16759105
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Ratio = 230 16759105
NPT2 Others Unspecified Inhibition < 15 % 19060912
NPT1037 Individual Protein Solute carrier family 15 member 2 Homo sapiens Ki = 54000 nM 21741846
NPT1037 Individual Protein Solute carrier family 15 member 2 Homo sapiens Ki = 53703.18 nM 21741846
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Inhibition > 80 % 10087037
NPT1241 Individual Protein Oligopeptide transporter, kidney isoform Rattus norvegicus Ki = 42000 nM 11007306
NPT1240 Individual Protein Solute carrier family 15 member 1 Rattus norvegicus Ki = 860000 nM 11007306

  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 NPC69179 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
0.8286 Intermediate Similarity NPC260324
0.8095 Intermediate Similarity NPC297220
0.7647 Intermediate Similarity NPC126681
0.7556 Intermediate Similarity NPC328378
0.75 Intermediate Similarity NPC327250
0.7391 Intermediate Similarity NPC319175
0.7083 Intermediate Similarity NPC329495
0.7 Intermediate Similarity NPC216443
0.6957 Remote Similarity NPC153370
0.6939 Remote Similarity NPC321118
0.6939 Remote Similarity NPC316889
0.6923 Remote Similarity NPC134570
0.6842 Remote Similarity NPC328698
0.68 Remote Similarity NPC327831
0.6667 Remote Similarity NPC38463
0.6667 Remote Similarity NPC325985
0.6538 Remote Similarity NPC317147
0.6538 Remote Similarity NPC318260
0.6522 Remote Similarity NPC195448
0.6522 Remote Similarity NPC248970
0.6522 Remote Similarity NPC306238
0.6512 Remote Similarity NPC121517
0.6512 Remote Similarity NPC53449
0.6512 Remote Similarity NPC326212
0.6512 Remote Similarity NPC237525
0.6512 Remote Similarity NPC168375
0.6512 Remote Similarity NPC326992
0.6471 Remote Similarity NPC322573
0.6444 Remote Similarity NPC198301
0.6444 Remote Similarity NPC40511
0.6415 Remote Similarity NPC189301
0.6415 Remote Similarity NPC176164
0.64 Remote Similarity NPC190184
0.64 Remote Similarity NPC197087
0.6341 Remote Similarity NPC116709
0.6341 Remote Similarity NPC272614
0.6341 Remote Similarity NPC21290
0.6327 Remote Similarity NPC327239
0.6304 Remote Similarity NPC329263
0.6296 Remote Similarity NPC321468
0.6296 Remote Similarity NPC317143
0.6296 Remote Similarity NPC321536
0.6296 Remote Similarity NPC316826
0.6296 Remote Similarity NPC327748
0.6296 Remote Similarity NPC320598
0.6296 Remote Similarity NPC254541
0.625 Remote Similarity NPC227850
0.6222 Remote Similarity NPC167986
0.6222 Remote Similarity NPC291186
0.619 Remote Similarity NPC63621
0.6182 Remote Similarity NPC329564
0.6182 Remote Similarity NPC321419
0.6182 Remote Similarity NPC327170
0.6182 Remote Similarity NPC143722
0.617 Remote Similarity NPC185755
0.617 Remote Similarity NPC213876
0.6154 Remote Similarity NPC59650
0.6087 Remote Similarity NPC325097
0.6087 Remote Similarity NPC126925
0.6087 Remote Similarity NPC132307
0.6047 Remote Similarity NPC18188
0.6042 Remote Similarity NPC181588
0.6042 Remote Similarity NPC136159
0.6 Remote Similarity NPC319110
0.6 Remote Similarity NPC114517
0.6 Remote Similarity NPC329181
0.5957 Remote Similarity NPC327698
0.5957 Remote Similarity NPC118459
0.5952 Remote Similarity NPC9294
0.5946 Remote Similarity NPC290188
0.5918 Remote Similarity NPC140872
0.5918 Remote Similarity NPC93081
0.5882 Remote Similarity NPC322946
0.5862 Remote Similarity NPC289691
0.5849 Remote Similarity NPC10915
0.5833 Remote Similarity NPC136476
0.5833 Remote Similarity NPC49952
0.5814 Remote Similarity NPC25237
0.58 Remote Similarity NPC316231
0.58 Remote Similarity NPC112890
0.58 Remote Similarity NPC324825
0.5778 Remote Similarity NPC321202
0.5778 Remote Similarity NPC66043
0.5769 Remote Similarity NPC189178
0.5769 Remote Similarity NPC263065
0.5763 Remote Similarity NPC325597
0.5763 Remote Similarity NPC174304
0.5745 Remote Similarity NPC43264
0.5714 Remote Similarity NPC204364
0.5686 Remote Similarity NPC114990
0.5686 Remote Similarity NPC125736
0.566 Remote Similarity NPC322091
0.566 Remote Similarity NPC60672
0.5652 Remote Similarity NPC326808
0.5652 Remote Similarity NPC226265
0.5652 Remote Similarity NPC219143
0.5652 Remote Similarity NPC254482
0.5652 Remote Similarity NPC317691
0.5652 Remote Similarity NPC110533
0.5652 Remote Similarity NPC319114
0.5625 Remote Similarity NPC285322
0.5625 Remote Similarity NPC208793

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC69179 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
0.7714 Intermediate Similarity NPD8613 Approved
0.7647 Intermediate Similarity NPD7371 Approved
0.7059 Intermediate Similarity NPD7368 Approved
0.7059 Intermediate Similarity NPD51 Approved
0.7059 Intermediate Similarity NPD7367 Approved
0.6957 Remote Similarity NPD8614 Approved
0.6818 Remote Similarity NPD8869 Approved
0.6667 Remote Similarity NPD8800 Approved
0.6522 Remote Similarity NPD8870 Approved
0.6522 Remote Similarity NPD8621 Approved
0.6458 Remote Similarity NPD2265 Approved
0.6458 Remote Similarity NPD2264 Approved
0.6415 Remote Similarity NPD9433 Approved
0.64 Remote Similarity NPD8785 Approved
0.6341 Remote Similarity NPD8211 Approved
0.6341 Remote Similarity NPD8210 Phase 3
0.6327 Remote Similarity NPD329 Discontinued
0.6222 Remote Similarity NPD8805 Approved
0.6222 Remote Similarity NPD8804 Approved
0.617 Remote Similarity NPD8982 Approved
0.6154 Remote Similarity NPD8796 Approved
0.6154 Remote Similarity NPD8795 Approved
0.6154 Remote Similarity NPD8799 Approved
0.6136 Remote Similarity NPD335 Approved
0.6136 Remote Similarity NPD331 Approved
0.6087 Remote Similarity NPD8798 Approved
0.6047 Remote Similarity NPD8623 Phase 1
0.6042 Remote Similarity NPD8810 Clinical (unspecified phase)
0.6 Remote Similarity NPD1433 Approved
0.6 Remote Similarity NPD334 Phase 3
0.6 Remote Similarity NPD1437 Approved
0.5918 Remote Similarity NPD8809 Approved
0.5918 Remote Similarity NPD9213 Approved
0.5918 Remote Similarity NPD8808 Approved
0.5918 Remote Similarity NPD9214 Phase 3
0.5882 Remote Similarity NPD9441 Phase 2
0.5849 Remote Similarity NPD4276 Approved
0.5849 Remote Similarity NPD4277 Approved
0.5833 Remote Similarity NPD8801 Approved
0.58 Remote Similarity NPD9044 Approved
0.5769 Remote Similarity NPD9204 Approved
0.5769 Remote Similarity NPD9205 Approved
0.5763 Remote Similarity NPD348 Approved
0.5745 Remote Similarity NPD2260 Approved
0.5745 Remote Similarity NPD2261 Phase 3
0.5741 Remote Similarity NPD8864 Clinical (unspecified phase)
0.5682 Remote Similarity NPD333 Approved
0.5682 Remote Similarity NPD330 Approved
0.5682 Remote Similarity NPD332 Approved
0.5682 Remote Similarity NPD336 Approved
0.5682 Remote Similarity NPD9043 Approved
0.566 Remote Similarity NPD8545 Approved
0.566 Remote Similarity NPD9419 Clinical (unspecified phase)
0.5652 Remote Similarity NPD8216 Approved
0.5652 Remote Similarity NPD8217 Clinical (unspecified phase)
0.5652 Remote Similarity NPD8214 Approved
0.5652 Remote Similarity NPD9227 Discontinued
0.5652 Remote Similarity NPD8215 Approved
0.5625 Remote Similarity NPD8610 Approved
0.5625 Remote Similarity NPD397 Phase 2
0.5625 Remote Similarity NPD9658 Clinical (unspecified phase)
0.56 Remote Similarity NPD8873 Approved

Structure

External Identifiers

PubChem CID   11163;1548897
ChEMBL   CHEMBL292467
ZINC  

Physicochemical Properties

Molecular Weight:  132.05
ALogP:  -1.4749
MLogP:  1.35
XLogP:  -4.106
# Rotatable Bonds:  6
Polar Surface Area:  95.91
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  9

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Similar NPs/Drugs