Natural Product: NPC204364

Natural Product ID:  NPC204364
Common Name:   (R)-2-Amino-3-(Methylthio)Propanoic Acid
IUPAC Name:   (2R)-2-amino-3-methylsulfanylpropanoic acid
Synonyms:  
Molecular Formula:   C4H9NO2S
Standard InCHIKey:  IDIDJDIHTAOVLG-VKHMYHEASA-N
Standard InCHI:  InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Canonical SMILES:  CSC[C@@H](C(=O)O)N
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 PMID[25518943]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[508804]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota PMID[25650289]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota PMID[25650289]
NPO8679 Streptomyces sparsogenes Species Streptomycetaceae Bacteria StreptomeDB*
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota TM-MC*
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT832 Individual Protein Kinesin-like protein 1 Homo sapiens IC50 > 63000 nM 17524640
NPT165 Cell Line HeLa Homo sapiens IC50 > 50000 nM 17524640

  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 NPC204364 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
0.9556 High Similarity NPC170739
0.9556 High Similarity NPC152451
0.9556 High Similarity NPC193989
0.8958 High Similarity NPC317815
0.8936 High Similarity NPC114990
0.8889 High Similarity NPC198196
0.86 High Similarity NPC102815
0.8478 Intermediate Similarity NPC213876
0.8478 Intermediate Similarity NPC185755
0.8478 Intermediate Similarity NPC136476
0.8478 Intermediate Similarity NPC49952
0.8409 Intermediate Similarity NPC254482
0.8409 Intermediate Similarity NPC326808
0.8409 Intermediate Similarity NPC110533
0.8409 Intermediate Similarity NPC317691
0.84 Intermediate Similarity NPC145235
0.7925 Intermediate Similarity NPC283786
0.7925 Intermediate Similarity NPC82239
0.7872 Intermediate Similarity NPC191136
0.7818 Intermediate Similarity NPC321419
0.78 Intermediate Similarity NPC125736
0.7778 Intermediate Similarity NPC326992
0.7778 Intermediate Similarity NPC53449
0.7778 Intermediate Similarity NPC168375
0.7778 Intermediate Similarity NPC121517
0.7708 Intermediate Similarity NPC228932
0.7674 Intermediate Similarity NPC116709
0.7674 Intermediate Similarity NPC272614
0.7674 Intermediate Similarity NPC21290
0.7551 Intermediate Similarity NPC118187
0.7451 Intermediate Similarity NPC319175
0.7447 Intermediate Similarity NPC167986
0.7447 Intermediate Similarity NPC291186
0.74 Intermediate Similarity NPC318523
0.7347 Intermediate Similarity NPC248970
0.7347 Intermediate Similarity NPC306238
0.7292 Intermediate Similarity NPC132307
0.7292 Intermediate Similarity NPC126925
0.7292 Intermediate Similarity NPC325097
0.7292 Intermediate Similarity NPC198301
0.7143 Intermediate Similarity NPC327698
0.7143 Intermediate Similarity NPC118459
0.7111 Intermediate Similarity NPC63621
0.7021 Intermediate Similarity NPC66043
0.7021 Intermediate Similarity NPC326212
0.7021 Intermediate Similarity NPC237525
0.7 Intermediate Similarity NPC297220
0.6977 Remote Similarity NPC14778
0.6889 Remote Similarity NPC9294
0.68 Remote Similarity NPC329263
0.6604 Remote Similarity NPC245027
0.6604 Remote Similarity NPC84636
0.6604 Remote Similarity NPC162620
0.6604 Remote Similarity NPC62045
0.6604 Remote Similarity NPC174246
0.6604 Remote Similarity NPC93888
0.6604 Remote Similarity NPC226027
0.6604 Remote Similarity NPC270805
0.6604 Remote Similarity NPC43204
0.6538 Remote Similarity NPC181588
0.6538 Remote Similarity NPC136159
0.6531 Remote Similarity NPC226265
0.6531 Remote Similarity NPC219143
0.6481 Remote Similarity NPC315977
0.6471 Remote Similarity NPC285322
0.6471 Remote Similarity NPC208793
0.6415 Remote Similarity NPC153370
0.6415 Remote Similarity NPC140872
0.6415 Remote Similarity NPC93081
0.6346 Remote Similarity NPC309658
0.6296 Remote Similarity NPC112890
0.6296 Remote Similarity NPC316231
0.6296 Remote Similarity NPC324825
0.6296 Remote Similarity NPC328378
0.629 Remote Similarity NPC289691
0.625 Remote Similarity NPC18188
0.6222 Remote Similarity NPC114517
0.619 Remote Similarity NPC174304
0.619 Remote Similarity NPC325597
0.6182 Remote Similarity NPC273330
0.6182 Remote Similarity NPC137958
0.614 Remote Similarity NPC316889
0.614 Remote Similarity NPC321118
0.6122 Remote Similarity NPC329545
0.6047 Remote Similarity NPC126681
0.6034 Remote Similarity NPC2801
0.6 Remote Similarity NPC286989
0.5965 Remote Similarity NPC329495
0.5965 Remote Similarity NPC190184
0.5965 Remote Similarity NPC197087
0.5932 Remote Similarity NPC38463
0.5926 Remote Similarity NPC316168
0.5909 Remote Similarity NPC319046
0.5862 Remote Similarity NPC322091
0.5862 Remote Similarity NPC183845
0.5862 Remote Similarity NPC60672
0.5862 Remote Similarity NPC279661
0.5833 Remote Similarity NPC278209
0.5821 Remote Similarity NPC126779
0.5797 Remote Similarity NPC315897
0.5789 Remote Similarity NPC155156
0.5789 Remote Similarity NPC200550
0.5778 Remote Similarity NPC16947
0.5769 Remote Similarity NPC276294
0.5769 Remote Similarity NPC107645
0.5763 Remote Similarity NPC327831
0.5763 Remote Similarity NPC10915
0.5738 Remote Similarity NPC176164
0.5738 Remote Similarity NPC190385
0.5738 Remote Similarity NPC189301
0.5714 Remote Similarity NPC69179
0.5667 Remote Similarity NPC325985
0.566 Remote Similarity NPC323974
0.5652 Remote Similarity NPC145217
0.5652 Remote Similarity NPC84444
0.5645 Remote Similarity NPC321468
0.5645 Remote Similarity NPC317143
0.5645 Remote Similarity NPC327748
0.5645 Remote Similarity NPC254541
0.5645 Remote Similarity NPC316826
0.5625 Remote Similarity NPC134570

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC204364 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
0.9556 High Similarity NPD8802 Approved
0.9556 High Similarity NPD9021 Approved
0.9556 High Similarity NPD8803 Clinical (unspecified phase)
0.9333 High Similarity NPD8873 Approved
0.8936 High Similarity NPD9025 Approved
0.8889 High Similarity NPD9020 Approved
0.8571 High Similarity NPD8849 Clinical (unspecified phase)
0.8478 Intermediate Similarity NPD8982 Approved
0.8409 Intermediate Similarity NPD8214 Approved
0.8409 Intermediate Similarity NPD8215 Approved
0.7708 Intermediate Similarity NPD8801 Approved
0.7674 Intermediate Similarity NPD8211 Approved
0.7674 Intermediate Similarity NPD8210 Phase 3
0.7455 Intermediate Similarity NPD8848 Approved
0.7447 Intermediate Similarity NPD8804 Approved
0.7447 Intermediate Similarity NPD8805 Approved
0.74 Intermediate Similarity NPD8577 Discontinued
0.7347 Intermediate Similarity NPD8870 Approved
0.7292 Intermediate Similarity NPD8798 Approved
0.7059 Intermediate Similarity NPD9213 Approved
0.7059 Intermediate Similarity NPD9214 Phase 3
0.6935 Remote Similarity NPD9452 Clinical (unspecified phase)
0.6792 Remote Similarity NPD329 Discontinued
0.6615 Remote Similarity NPD2262 Clinical (unspecified phase)
0.6604 Remote Similarity NPD9016 Clinical (unspecified phase)
0.6604 Remote Similarity NPD9018 Approved
0.6604 Remote Similarity NPD8624 Approved
0.6604 Remote Similarity NPD9017 Approved
0.66 Remote Similarity NPD8869 Approved
0.6545 Remote Similarity NPD9386 Approved
0.6545 Remote Similarity NPD9420 Clinical (unspecified phase)
0.6538 Remote Similarity NPD8810 Clinical (unspecified phase)
0.6531 Remote Similarity NPD8216 Approved
0.6531 Remote Similarity NPD8217 Clinical (unspecified phase)
0.6471 Remote Similarity NPD8610 Approved
0.6415 Remote Similarity NPD8809 Approved
0.6415 Remote Similarity NPD8614 Approved
0.6415 Remote Similarity NPD8808 Approved
0.6296 Remote Similarity NPD9044 Approved
0.625 Remote Similarity NPD886 Clinical (unspecified phase)
0.625 Remote Similarity NPD8623 Phase 1
0.619 Remote Similarity NPD348 Approved
0.6182 Remote Similarity NPD8871 Approved
0.6182 Remote Similarity NPD8872 Phase 3
0.6066 Remote Similarity NPD902 Approved
0.6047 Remote Similarity NPD7371 Approved
0.5965 Remote Similarity NPD8785 Approved
0.5965 Remote Similarity NPD8851 Phase 1
0.5926 Remote Similarity NPD8209 Phase 2
0.5926 Remote Similarity NPD8208 Clinical (unspecified phase)
0.5909 Remote Similarity NPD337 Discontinued
0.5909 Remote Similarity NPD4241 Registered
0.5882 Remote Similarity NPD8609 Approved
0.5821 Remote Similarity NPD4242 Approved
0.5821 Remote Similarity NPD1815 Discontinued
0.5797 Remote Similarity NPD1825 Clinical (unspecified phase)
0.5738 Remote Similarity NPD9433 Approved
0.5738 Remote Similarity NPD9023 Clinical (unspecified phase)
0.566 Remote Similarity NPD9019 Approved
0.5658 Remote Similarity NPD7643 Phase 1

Structure

External Identifiers

PubChem CID   24417;7058174
ChEMBL   CHEMBL394875
ZINC  

Physicochemical Properties

Molecular Weight:  135.04
ALogP:  -0.4423
MLogP:  1.46
XLogP:  -2.211
# Rotatable Bonds:  6
Polar Surface Area:  88.62
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  8

Download Data

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Structure MOL file  
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Similar NPs/Drugs