Natural Product: NPC319175

Natural Product ID:  NPC319175
Common Name:   Cys-Gly
IUPAC Name:   2-[[(2R)-2-azaniumyl-3-sulfanylpropanoyl]amino]acetate
Synonyms:   Cys-Gly; Cysteinyl-Glycine
Molecular Formula:   C5H10N2O3S
Standard InCHIKey:  ZUKPVRWZDMRIEO-VKHMYHEASA-N
Standard InCHI:  InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1
Canonical SMILES:  N[C@H](C(=NCC(=O)O)O)CS
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 DOI[10.1038/nbt.2488]
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[9870205]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[9554495]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[14637266]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24678285]

  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 = 200000 nM 14667225
NPT1237 Individual Protein Oligopeptide transporter small intestine isoform Homo sapiens Ki = 200000 nM 15974593
NPT2 Others Unspecified Activity = 0 % 18926709
NPT2 Others Unspecified Activity = 20 % 18926709
NPT2 Others Unspecified Activity = 33 % 18926709
NPT1 Others Radical scavenging activity Activity = 88 % 18926709
NPT35 Others n.a. Activity = 79.8 % 18926709
NPT35 Others n.a. Activity = 92.28 % 18926709
NPT35 Others n.a. Activity = 94.31 % 18926709
NPT35 Others n.a. Activity = 94.33 % 18926709
NPT2 Others Unspecified Inhibition < 15 % 19060912
NPT1037 Individual Protein Solute carrier family 15 member 2 Homo sapiens Ki = 29000 nM 21741846
NPT1037 Individual Protein Solute carrier family 15 member 2 Homo sapiens Ki = 28840.32 nM 21741846
NPT2 Others Unspecified Ratio IC50 = 2.23 21657271
NPT2 Others Unspecified IC50 = 4230000 nM 21657271
NPT2 Others Unspecified IC50 = 9420000 nM 21657271

  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 NPC319175 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
0.8333 Intermediate Similarity NPC297220
0.8333 Intermediate Similarity NPC248970
0.8333 Intermediate Similarity NPC306238
0.8036 Intermediate Similarity NPC321419
0.7959 Intermediate Similarity NPC185755
0.7959 Intermediate Similarity NPC136476
0.7959 Intermediate Similarity NPC49952
0.7959 Intermediate Similarity NPC213876
0.7931 Intermediate Similarity NPC289691
0.7872 Intermediate Similarity NPC326808
0.7872 Intermediate Similarity NPC317691
0.7872 Intermediate Similarity NPC254482
0.7872 Intermediate Similarity NPC110533
0.7797 Intermediate Similarity NPC325597
0.7797 Intermediate Similarity NPC174304
0.7451 Intermediate Similarity NPC204364
0.7407 Intermediate Similarity NPC329495
0.7391 Intermediate Similarity NPC69179
0.7358 Intermediate Similarity NPC125736
0.7358 Intermediate Similarity NPC114990
0.7308 Intermediate Similarity NPC153370
0.7273 Intermediate Similarity NPC316889
0.7273 Intermediate Similarity NPC321118
0.717 Intermediate Similarity NPC170739
0.717 Intermediate Similarity NPC152451
0.717 Intermediate Similarity NPC328378
0.717 Intermediate Similarity NPC193989
0.7143 Intermediate Similarity NPC327831
0.7143 Intermediate Similarity NPC319046
0.7059 Intermediate Similarity NPC191136
0.7031 Intermediate Similarity NPC126779
0.7018 Intermediate Similarity NPC325985
0.7018 Intermediate Similarity NPC38463
0.697 Remote Similarity NPC315897
0.6923 Remote Similarity NPC228932
0.6792 Remote Similarity NPC118187
0.6786 Remote Similarity NPC317815
0.6786 Remote Similarity NPC190184
0.6786 Remote Similarity NPC197087
0.6735 Remote Similarity NPC327250
0.6667 Remote Similarity NPC145235
0.6667 Remote Similarity NPC321468
0.6667 Remote Similarity NPC316826
0.6667 Remote Similarity NPC254541
0.6667 Remote Similarity NPC317143
0.6667 Remote Similarity NPC321536
0.6667 Remote Similarity NPC327748
0.6667 Remote Similarity NPC320598
0.6667 Remote Similarity NPC318523
0.661 Remote Similarity NPC283786
0.6604 Remote Similarity NPC198196
0.66 Remote Similarity NPC237525
0.66 Remote Similarity NPC326992
0.66 Remote Similarity NPC326212
0.66 Remote Similarity NPC168375
0.66 Remote Similarity NPC121517
0.66 Remote Similarity NPC53449
0.6557 Remote Similarity NPC143722
0.6557 Remote Similarity NPC327170
0.6557 Remote Similarity NPC329564
0.6552 Remote Similarity NPC102815
0.6552 Remote Similarity NPC322573
0.6538 Remote Similarity NPC198301
0.65 Remote Similarity NPC189301
0.65 Remote Similarity NPC176164
0.6458 Remote Similarity NPC116709
0.6458 Remote Similarity NPC21290
0.6458 Remote Similarity NPC272614
0.6429 Remote Similarity NPC327239
0.6415 Remote Similarity NPC329263
0.6346 Remote Similarity NPC167986
0.6346 Remote Similarity NPC291186
0.6333 Remote Similarity NPC317147
0.6333 Remote Similarity NPC82239
0.6333 Remote Similarity NPC318260
0.6327 Remote Similarity NPC63621
0.6226 Remote Similarity NPC325097
0.6226 Remote Similarity NPC132307
0.6226 Remote Similarity NPC126925
0.6182 Remote Similarity NPC136159
0.6182 Remote Similarity NPC181588
0.617 Remote Similarity NPC260324
0.6111 Remote Similarity NPC327698
0.6111 Remote Similarity NPC118459
0.6071 Remote Similarity NPC227850
0.6071 Remote Similarity NPC93081
0.6071 Remote Similarity NPC140872
0.6 Remote Similarity NPC10915
0.6 Remote Similarity NPC315744
0.6 Remote Similarity NPC25237
0.5965 Remote Similarity NPC316231
0.5965 Remote Similarity NPC324825
0.5965 Remote Similarity NPC112890
0.5962 Remote Similarity NPC66043
0.5849 Remote Similarity NPC226265
0.5849 Remote Similarity NPC219143
0.5833 Remote Similarity NPC328698
0.5833 Remote Similarity NPC60672
0.5833 Remote Similarity NPC322091
0.5818 Remote Similarity NPC285322
0.5818 Remote Similarity NPC208793
0.58 Remote Similarity NPC9294
0.5797 Remote Similarity NPC472579
0.5763 Remote Similarity NPC19576
0.5763 Remote Similarity NPC322946
0.5763 Remote Similarity NPC29950
0.5714 Remote Similarity NPC309658
0.569 Remote Similarity NPC93888
0.569 Remote Similarity NPC162620
0.569 Remote Similarity NPC43204
0.569 Remote Similarity NPC174246
0.569 Remote Similarity NPC270805
0.569 Remote Similarity NPC245027
0.569 Remote Similarity NPC84636
0.569 Remote Similarity NPC226027
0.569 Remote Similarity NPC62045
0.5667 Remote Similarity NPC189178
0.5667 Remote Similarity NPC263065
0.5652 Remote Similarity NPC81647
0.5652 Remote Similarity NPC126681
0.5634 Remote Similarity NPC328457
0.5614 Remote Similarity NPC316168

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC319175 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
0.8333 Intermediate Similarity NPD8870 Approved
0.8298 Intermediate Similarity NPD8869 Approved
0.8 Intermediate Similarity NPD9213 Approved
0.8 Intermediate Similarity NPD9214 Phase 3
0.7959 Intermediate Similarity NPD8982 Approved
0.7872 Intermediate Similarity NPD8215 Approved
0.7872 Intermediate Similarity NPD8214 Approved
0.7797 Intermediate Similarity NPD348 Approved
0.7692 Intermediate Similarity NPD329 Discontinued
0.7308 Intermediate Similarity NPD8873 Approved
0.7308 Intermediate Similarity NPD8614 Approved
0.7258 Intermediate Similarity NPD886 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD8803 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD9021 Approved
0.717 Intermediate Similarity NPD8802 Approved
0.7143 Intermediate Similarity NPD337 Discontinued
0.7143 Intermediate Similarity NPD4241 Registered
0.7091 Intermediate Similarity NPD9420 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD397 Phase 2
0.7037 Intermediate Similarity NPD9025 Approved
0.7031 Intermediate Similarity NPD4242 Approved
0.697 Remote Similarity NPD1825 Clinical (unspecified phase)
0.6923 Remote Similarity NPD8801 Approved
0.6818 Remote Similarity NPD2262 Clinical (unspecified phase)
0.6786 Remote Similarity NPD8849 Clinical (unspecified phase)
0.6786 Remote Similarity NPD8785 Approved
0.678 Remote Similarity NPD9433 Approved
0.6667 Remote Similarity NPD8577 Discontinued
0.6615 Remote Similarity NPD9452 Clinical (unspecified phase)
0.6604 Remote Similarity NPD9020 Approved
0.6508 Remote Similarity NPD364 Discontinued
0.6491 Remote Similarity NPD9386 Approved
0.6458 Remote Similarity NPD8210 Phase 3
0.6458 Remote Similarity NPD8211 Approved
0.6346 Remote Similarity NPD8804 Approved
0.6346 Remote Similarity NPD8805 Approved
0.623 Remote Similarity NPD8848 Approved
0.6226 Remote Similarity NPD8798 Approved
0.6182 Remote Similarity NPD8810 Clinical (unspecified phase)
0.6071 Remote Similarity NPD8808 Approved
0.6071 Remote Similarity NPD8809 Approved
0.6029 Remote Similarity NPD1815 Discontinued
0.5974 Remote Similarity NPD3733 Clinical (unspecified phase)
0.597 Remote Similarity NPD1429 Clinical (unspecified phase)
0.5965 Remote Similarity NPD9044 Approved
0.5849 Remote Similarity NPD8217 Clinical (unspecified phase)
0.5849 Remote Similarity NPD8216 Approved
0.5844 Remote Similarity NPD7643 Phase 1
0.5833 Remote Similarity NPD9419 Clinical (unspecified phase)
0.5818 Remote Similarity NPD8610 Approved
0.5781 Remote Similarity NPD902 Approved
0.5763 Remote Similarity NPD9441 Phase 2
0.5763 Remote Similarity NPD8846 Approved
0.5763 Remote Similarity NPD61 Approved
0.5763 Remote Similarity NPD8847 Approved
0.5745 Remote Similarity NPD8613 Approved
0.569 Remote Similarity NPD9017 Approved
0.569 Remote Similarity NPD9018 Approved
0.569 Remote Similarity NPD8624 Approved
0.569 Remote Similarity NPD9016 Clinical (unspecified phase)
0.5667 Remote Similarity NPD9204 Approved
0.5667 Remote Similarity NPD9205 Approved
0.5652 Remote Similarity NPD7371 Approved
0.5614 Remote Similarity NPD8208 Clinical (unspecified phase)
0.5614 Remote Similarity NPD8209 Phase 2

Structure

External Identifiers

PubChem CID   7098621;439498
ChEMBL   CHEMBL371579
ZINC  

Physicochemical Properties

Molecular Weight:  178.04
ALogP:  -0.9076
MLogP:  1.35
XLogP:  -3.331
# Rotatable Bonds:  8
Polar Surface Area:  134.71
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  11

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Similar NPs/Drugs