Natural Product: NPC306238

Natural Product ID:  NPC306238
Common Name:   (2S)-2-Acetamido-3-Sulfanylpropanoic Acid
IUPAC Name:   (2S)-2-acetamido-3-sulfanylpropanoic acid
Synonyms:  
Molecular Formula:   C5H9NO3S
Standard InCHIKey:  PWKSKIMOESPYIA-SCSAIBSYSA-N
Standard InCHI:  InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m1/s1
Canonical SMILES:  SC[C@H](C(=O)O)N=C(O)C
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
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
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 1258.9 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 199.5 nM PubChem BioAssay data set
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 5011.9 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 NPC306238 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
1.0 High Similarity NPC248970
0.8333 Intermediate Similarity NPC319175
0.75 Intermediate Similarity NPC136476
0.75 Intermediate Similarity NPC49952
0.75 Intermediate Similarity NPC297220
0.7391 Intermediate Similarity NPC110533
0.7391 Intermediate Similarity NPC254482
0.7391 Intermediate Similarity NPC317691
0.7391 Intermediate Similarity NPC326808
0.7347 Intermediate Similarity NPC204364
0.7333 Intermediate Similarity NPC327250
0.7321 Intermediate Similarity NPC321419
0.72 Intermediate Similarity NPC227850
0.7143 Intermediate Similarity NPC260324
0.7143 Intermediate Similarity NPC213876
0.7143 Intermediate Similarity NPC185755
0.7059 Intermediate Similarity NPC193989
0.7059 Intermediate Similarity NPC170739
0.7059 Intermediate Similarity NPC152451
0.7059 Intermediate Similarity NPC328378
0.6949 Remote Similarity NPC289691
0.6939 Remote Similarity NPC191136
0.6833 Remote Similarity NPC325597
0.6833 Remote Similarity NPC174304
0.6792 Remote Similarity NPC322946
0.6667 Remote Similarity NPC317815
0.6667 Remote Similarity NPC263065
0.6667 Remote Similarity NPC189178
0.6604 Remote Similarity NPC114990
0.6604 Remote Similarity NPC125736
0.6545 Remote Similarity NPC321118
0.6545 Remote Similarity NPC316889
0.6522 Remote Similarity NPC69179
0.6471 Remote Similarity NPC228932
0.6471 Remote Similarity NPC198196
0.6458 Remote Similarity NPC121517
0.6458 Remote Similarity NPC53449
0.6458 Remote Similarity NPC168375
0.6458 Remote Similarity NPC326992
0.6429 Remote Similarity NPC102815
0.6429 Remote Similarity NPC322573
0.64 Remote Similarity NPC198301
0.6364 Remote Similarity NPC315897
0.6364 Remote Similarity NPC329495
0.6346 Remote Similarity NPC118187
0.6316 Remote Similarity NPC38463
0.6304 Remote Similarity NPC21290
0.6304 Remote Similarity NPC116709
0.6304 Remote Similarity NPC272614
0.6296 Remote Similarity NPC327239
0.625 Remote Similarity NPC145235
0.625 Remote Similarity NPC319046
0.6226 Remote Similarity NPC318523
0.6226 Remote Similarity NPC153370
0.6207 Remote Similarity NPC283786
0.6207 Remote Similarity NPC318260
0.6207 Remote Similarity NPC317147
0.62 Remote Similarity NPC167986
0.62 Remote Similarity NPC291186
0.6182 Remote Similarity NPC19576
0.6182 Remote Similarity NPC29950
0.617 Remote Similarity NPC25237
0.6154 Remote Similarity NPC126779
0.614 Remote Similarity NPC327831
0.6102 Remote Similarity NPC176164
0.6102 Remote Similarity NPC189301
0.6078 Remote Similarity NPC325097
0.6078 Remote Similarity NPC132307
0.6078 Remote Similarity NPC126925
0.6034 Remote Similarity NPC325985
0.6034 Remote Similarity NPC313263
0.6 Remote Similarity NPC14778
0.6 Remote Similarity NPC254541
0.6 Remote Similarity NPC321468
0.6 Remote Similarity NPC473599
0.6 Remote Similarity NPC319110
0.6 Remote Similarity NPC316826
0.6 Remote Similarity NPC329181
0.6 Remote Similarity NPC317143
0.6 Remote Similarity NPC327748
0.5962 Remote Similarity NPC327698
0.5962 Remote Similarity NPC118459
0.5957 Remote Similarity NPC9294
0.5952 Remote Similarity NPC320704
0.5932 Remote Similarity NPC82239
0.5909 Remote Similarity NPC16947
0.5902 Remote Similarity NPC329564
0.5902 Remote Similarity NPC327170
0.5833 Remote Similarity NPC63621
0.5806 Remote Similarity NPC477644
0.58 Remote Similarity NPC66043
0.58 Remote Similarity NPC237525
0.58 Remote Similarity NPC326212
0.5789 Remote Similarity NPC190184
0.5789 Remote Similarity NPC197087
0.5769 Remote Similarity NPC43264
0.5741 Remote Similarity NPC282097
0.5738 Remote Similarity NPC321536
0.5738 Remote Similarity NPC320598
0.5714 Remote Similarity NPC327252
0.566 Remote Similarity NPC329263
0.5645 Remote Similarity NPC143722
0.5625 Remote Similarity NPC145658

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC306238 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 NPD8870 Approved
0.9111 High Similarity NPD9213 Approved
0.9111 High Similarity NPD9214 Phase 3
0.907 High Similarity NPD8869 Approved
0.8723 High Similarity NPD329 Discontinued
0.8 Intermediate Similarity NPD9420 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD8577 Discontinued
0.7391 Intermediate Similarity NPD8215 Approved
0.7391 Intermediate Similarity NPD8214 Approved
0.7308 Intermediate Similarity NPD9386 Approved
0.7143 Intermediate Similarity NPD8801 Approved
0.7143 Intermediate Similarity NPD8982 Approved
0.7059 Intermediate Similarity NPD8802 Approved
0.7059 Intermediate Similarity NPD9021 Approved
0.7059 Intermediate Similarity NPD8803 Clinical (unspecified phase)
0.6949 Remote Similarity NPD364 Discontinued
0.6863 Remote Similarity NPD8873 Approved
0.6833 Remote Similarity NPD348 Approved
0.6792 Remote Similarity NPD9441 Phase 2
0.6667 Remote Similarity NPD9204 Approved
0.6667 Remote Similarity NPD9205 Approved
0.6613 Remote Similarity NPD886 Clinical (unspecified phase)
0.6604 Remote Similarity NPD9025 Approved
0.6545 Remote Similarity NPD9419 Clinical (unspecified phase)
0.6471 Remote Similarity NPD9020 Approved
0.6406 Remote Similarity NPD1815 Discontinued
0.6364 Remote Similarity NPD1825 Clinical (unspecified phase)
0.6364 Remote Similarity NPD8849 Clinical (unspecified phase)
0.6304 Remote Similarity NPD8211 Approved
0.6304 Remote Similarity NPD8210 Phase 3
0.625 Remote Similarity NPD337 Discontinued
0.625 Remote Similarity NPD9452 Clinical (unspecified phase)
0.625 Remote Similarity NPD4241 Registered
0.6226 Remote Similarity NPD8614 Approved
0.6212 Remote Similarity NPD2262 Clinical (unspecified phase)
0.62 Remote Similarity NPD8805 Approved
0.62 Remote Similarity NPD8804 Approved
0.6182 Remote Similarity NPD61 Approved
0.6182 Remote Similarity NPD8846 Approved
0.6182 Remote Similarity NPD8847 Approved
0.6154 Remote Similarity NPD4242 Approved
0.6122 Remote Similarity NPD58 Approved
0.6122 Remote Similarity NPD8806 Approved
0.6102 Remote Similarity NPD9433 Approved
0.6078 Remote Similarity NPD8798 Approved
0.5962 Remote Similarity NPD9658 Clinical (unspecified phase)
0.587 Remote Similarity NPD8800 Approved
0.5833 Remote Similarity NPD8848 Approved
0.5806 Remote Similarity NPD574 Approved
0.5789 Remote Similarity NPD8785 Approved
0.5714 Remote Similarity NPD575 Clinical (unspecified phase)
0.566 Remote Similarity NPD397 Phase 2

Structure

External Identifiers

PubChem CID   94364
ChEMBL   CHEMBL507900
ZINC  

Physicochemical Properties

Molecular Weight:  163.03
ALogP:  0.054
MLogP:  1.46
XLogP:  0.047
# Rotatable Bonds:  7
Polar Surface Area:  108.69
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  10

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs