Natural Product: NPC283786

Natural Product ID:  NPC283786
Common Name:   L-3-Thiomorpholinecarboxylic Acid
IUPAC Name:   (3R)-thiomorpholin-4-ium-3-carboxylate
Synonyms:  
Molecular Formula:   C5H9NO2S
Standard InCHIKey:  JOKIQGQOKXGHDV-BYPYZUCNSA-N
Standard InCHI:  InChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
Canonical SMILES:  OC(=O)[C@@H]1CSCCN1
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
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 51 % 722714
NPT2 Others Unspecified Activity = 73 % 722714

  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 NPC283786 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
0.7925 Intermediate Similarity NPC204364
0.7636 Intermediate Similarity NPC170739
0.7636 Intermediate Similarity NPC152451
0.7636 Intermediate Similarity NPC193989
0.75 Intermediate Similarity NPC114990
0.7414 Intermediate Similarity NPC145235
0.7358 Intermediate Similarity NPC198301
0.7241 Intermediate Similarity NPC317815
0.7091 Intermediate Similarity NPC213876
0.7091 Intermediate Similarity NPC198196
0.7091 Intermediate Similarity NPC136476
0.7091 Intermediate Similarity NPC49952
0.7091 Intermediate Similarity NPC185755
0.7049 Intermediate Similarity NPC82239
0.7 Intermediate Similarity NPC102815
0.6981 Remote Similarity NPC326808
0.6981 Remote Similarity NPC110533
0.6981 Remote Similarity NPC254482
0.6981 Remote Similarity NPC317691
0.6825 Remote Similarity NPC268927
0.6825 Remote Similarity NPC276928
0.6825 Remote Similarity NPC64250
0.6719 Remote Similarity NPC321419
0.661 Remote Similarity NPC125736
0.661 Remote Similarity NPC319175
0.65 Remote Similarity NPC155156
0.65 Remote Similarity NPC200550
0.6491 Remote Similarity NPC228932
0.6379 Remote Similarity NPC118187
0.6316 Remote Similarity NPC191136
0.6271 Remote Similarity NPC318523
0.6226 Remote Similarity NPC216443
0.6207 Remote Similarity NPC306238
0.6207 Remote Similarity NPC248970
0.6182 Remote Similarity NPC168375
0.6182 Remote Similarity NPC53449
0.6182 Remote Similarity NPC326992
0.6182 Remote Similarity NPC121517
0.6154 Remote Similarity NPC245346
0.6154 Remote Similarity NPC302003
0.6154 Remote Similarity NPC11433
0.6056 Remote Similarity NPC107224
0.6038 Remote Similarity NPC116709
0.6038 Remote Similarity NPC272614
0.6038 Remote Similarity NPC21290
0.597 Remote Similarity NPC177191
0.5965 Remote Similarity NPC167986
0.5965 Remote Similarity NPC291186
0.5946 Remote Similarity NPC185084
0.5932 Remote Similarity NPC297220
0.5926 Remote Similarity NPC63621
0.5893 Remote Similarity NPC326212
0.5893 Remote Similarity NPC237525
0.5862 Remote Similarity NPC132307
0.5862 Remote Similarity NPC126925
0.5862 Remote Similarity NPC325097
0.5849 Remote Similarity NPC134570
0.5763 Remote Similarity NPC327698
0.5763 Remote Similarity NPC118459
0.5763 Remote Similarity NPC329263
0.5714 Remote Similarity NPC289691
0.5692 Remote Similarity NPC10915
0.5652 Remote Similarity NPC322206
0.5634 Remote Similarity NPC325597
0.5634 Remote Similarity NPC174304
0.5616 Remote Similarity NPC81647
0.5614 Remote Similarity NPC66043

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC283786 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
0.8421 Intermediate Similarity NPD8848 Approved
0.8113 Intermediate Similarity NPD8873 Approved
0.7818 Intermediate Similarity NPD9025 Approved
0.7636 Intermediate Similarity NPD9021 Approved
0.7636 Intermediate Similarity NPD8802 Approved
0.7636 Intermediate Similarity NPD8803 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD8849 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD9020 Approved
0.7091 Intermediate Similarity NPD8982 Approved
0.7015 Intermediate Similarity NPD9452 Clinical (unspecified phase)
0.6981 Remote Similarity NPD8214 Approved
0.6981 Remote Similarity NPD8215 Approved
0.6552 Remote Similarity NPD8577 Discontinued
0.6462 Remote Similarity NPD902 Approved
0.6207 Remote Similarity NPD8801 Approved
0.6207 Remote Similarity NPD8870 Approved
0.6154 Remote Similarity NPD8865 Approved
0.6129 Remote Similarity NPD9386 Approved
0.6038 Remote Similarity NPD8211 Approved
0.6038 Remote Similarity NPD8210 Phase 3
0.6027 Remote Similarity NPD2262 Clinical (unspecified phase)
0.6 Remote Similarity NPD9213 Approved
0.6 Remote Similarity NPD9214 Phase 3
0.5965 Remote Similarity NPD8805 Approved
0.5965 Remote Similarity NPD8804 Approved
0.5862 Remote Similarity NPD8798 Approved
0.5806 Remote Similarity NPD329 Discontinued
0.5733 Remote Similarity NPD9432 Discontinued
0.5658 Remote Similarity NPD9217 Clinical (unspecified phase)
0.5641 Remote Similarity NPD9389 Approved
0.5634 Remote Similarity NPD348 Approved
0.5625 Remote Similarity NPD9420 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   28125548;1152541
ChEMBL   CHEMBL3245366
ZINC  

Physicochemical Properties

Molecular Weight:  147.04
ALogP:  -0.1919
MLogP:  1.57
XLogP:  0.07
# Rotatable Bonds:  2
Polar Surface Area:  74.63
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  9

Download Data

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Biological Activities  
Similar NPs/Drugs