Natural Product: NPC93861

Natural Product ID:  NPC93861
Common Name:   L-Erythro-3-Hydroxyaspartic Acid
IUPAC Name:   (2R,3S)-2-amino-3-hydroxybutanedioic acid
Synonyms:  
Molecular Formula:   C4H7NO5
Standard InCHIKey:  YYLQUHNPNCGKJQ-NCGGTJAESA-N
Standard InCHI:  InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m1/s1
Canonical SMILES:  OC(=O)[C@H]([C@H](C(=O)O)N)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
NPO29635 Eucommiae cortex NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT643 Individual Protein Serine racemase Mus musculus Ki = 43000 nM 19791805

  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 NPC93861 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 NPC327895
1.0 High Similarity NPC43169
1.0 High Similarity NPC112224
0.7818 Intermediate Similarity NPC93888
0.7818 Intermediate Similarity NPC270805
0.7736 Intermediate Similarity NPC285322
0.7736 Intermediate Similarity NPC208793
0.7619 Intermediate Similarity NPC106216
0.7619 Intermediate Similarity NPC88898
0.7273 Intermediate Similarity NPC309658
0.717 Intermediate Similarity NPC19044
0.717 Intermediate Similarity NPC24751
0.717 Intermediate Similarity NPC121018
0.717 Intermediate Similarity NPC226265
0.717 Intermediate Similarity NPC219143
0.717 Intermediate Similarity NPC100742
0.717 Intermediate Similarity NPC97444
0.717 Intermediate Similarity NPC192402
0.7143 Intermediate Similarity NPC136159
0.7018 Intermediate Similarity NPC327542
0.6852 Remote Similarity NPC35661
0.6825 Remote Similarity NPC190385
0.6613 Remote Similarity NPC327831
0.6557 Remote Similarity NPC329495
0.6552 Remote Similarity NPC181588
0.6452 Remote Similarity NPC322091
0.6452 Remote Similarity NPC60672
0.6441 Remote Similarity NPC153370
0.6429 Remote Similarity NPC107645
0.6364 Remote Similarity NPC168375
0.6364 Remote Similarity NPC66043
0.6364 Remote Similarity NPC326992
0.6364 Remote Similarity NPC121517
0.6333 Remote Similarity NPC286989
0.6167 Remote Similarity NPC227850
0.614 Remote Similarity NPC291186
0.614 Remote Similarity NPC167986
0.6076 Remote Similarity NPC314466
0.6071 Remote Similarity NPC326212
0.6071 Remote Similarity NPC237525
0.6066 Remote Similarity NPC328954
0.6056 Remote Similarity NPC135539
0.6056 Remote Similarity NPC221764
0.6056 Remote Similarity NPC118524
0.6056 Remote Similarity NPC196359
0.6056 Remote Similarity NPC78312
0.6034 Remote Similarity NPC126925
0.6034 Remote Similarity NPC132307
0.6034 Remote Similarity NPC325097
0.6029 Remote Similarity NPC322206
0.5972 Remote Similarity NPC107224
0.597 Remote Similarity NPC473599
0.5938 Remote Similarity NPC19676
0.5938 Remote Similarity NPC323401
0.5932 Remote Similarity NPC329263
0.5932 Remote Similarity NPC327698
0.5932 Remote Similarity NPC118459
0.5926 Remote Similarity NPC116709
0.5926 Remote Similarity NPC272614
0.5926 Remote Similarity NPC159089
0.5926 Remote Similarity NPC21290
0.5882 Remote Similarity NPC68974
0.5862 Remote Similarity NPC259982
0.5862 Remote Similarity NPC228782
0.5862 Remote Similarity NPC313565
0.5846 Remote Similarity NPC6883
0.5833 Remote Similarity NPC136476
0.5833 Remote Similarity NPC49952
0.5818 Remote Similarity NPC63621
0.5789 Remote Similarity NPC53449
0.5781 Remote Similarity NPC277878
0.5738 Remote Similarity NPC316168
0.5714 Remote Similarity NPC27359
0.5714 Remote Similarity NPC295832
0.5714 Remote Similarity NPC198398
0.5714 Remote Similarity NPC125736
0.5714 Remote Similarity NPC315977
0.5714 Remote Similarity NPC137958
0.5714 Remote Similarity NPC273330
0.5692 Remote Similarity NPC196612
0.5679 Remote Similarity NPC219340
0.5667 Remote Similarity NPC242655
0.5667 Remote Similarity NPC38891
0.5667 Remote Similarity NPC270088
0.566 Remote Similarity NPC114517
0.5658 Remote Similarity NPC185084
0.5645 Remote Similarity NPC140872
0.5645 Remote Similarity NPC93081
0.5636 Remote Similarity NPC5505
0.5636 Remote Similarity NPC1037
0.5606 Remote Similarity NPC2801

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC93861 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
0.7818 Intermediate Similarity NPD8624 Approved
0.7736 Intermediate Similarity NPD8610 Approved
0.717 Intermediate Similarity NPD8599 Approved
0.717 Intermediate Similarity NPD8609 Approved
0.717 Intermediate Similarity NPD8602 Approved
0.717 Intermediate Similarity NPD8598 Approved
0.717 Intermediate Similarity NPD8216 Approved
0.717 Intermediate Similarity NPD8603 Approved
0.717 Intermediate Similarity NPD8605 Approved
0.717 Intermediate Similarity NPD8217 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD8604 Approved
0.717 Intermediate Similarity NPD8601 Approved
0.717 Intermediate Similarity NPD8600 Approved
0.6825 Remote Similarity NPD9023 Clinical (unspecified phase)
0.6567 Remote Similarity NPD1151 Approved
0.6552 Remote Similarity NPD8810 Clinical (unspecified phase)
0.6441 Remote Similarity NPD8614 Approved
0.614 Remote Similarity NPD8804 Approved
0.614 Remote Similarity NPD8805 Approved
0.6056 Remote Similarity NPD8868 Approved
0.6034 Remote Similarity NPD8798 Approved
0.5926 Remote Similarity NPD8211 Approved
0.5926 Remote Similarity NPD8210 Phase 3
0.5833 Remote Similarity NPD8842 Clinical (unspecified phase)
0.5797 Remote Similarity NPD3193 Approved
0.5797 Remote Similarity NPD3192 Approved
0.5781 Remote Similarity NPD66 Approved
0.5781 Remote Similarity NPD8960 Approved
0.5781 Remote Similarity NPD72 Approved
0.5781 Remote Similarity NPD9007 Approved
0.5781 Remote Similarity NPD9008 Approved
0.5781 Remote Similarity NPD9011 Approved
0.5781 Remote Similarity NPD9009 Approved
0.5781 Remote Similarity NPD64 Approved
0.5781 Remote Similarity NPD65 Approved
0.5781 Remote Similarity NPD9010 Approved
0.5738 Remote Similarity NPD8209 Phase 2
0.5738 Remote Similarity NPD8208 Clinical (unspecified phase)
0.5714 Remote Similarity NPD9225 Phase 3
0.5714 Remote Similarity NPD8872 Phase 3
0.5714 Remote Similarity NPD9226 Approved
0.5714 Remote Similarity NPD9025 Approved
0.5714 Remote Similarity NPD8871 Approved
0.5645 Remote Similarity NPD8808 Approved
0.5645 Remote Similarity NPD8809 Approved
0.5641 Remote Similarity NPD1453 Phase 1
0.5641 Remote Similarity NPD376 Approved
0.5641 Remote Similarity NPD11 Approved

Structure

External Identifiers

PubChem CID   6603868
ChEMBL   CHEMBL568192
ZINC  

Physicochemical Properties

Molecular Weight:  149.03
ALogP:  -2.004
MLogP:  1.24
XLogP:  -4.471
# Rotatable Bonds:  7
Polar Surface Area:  120.85
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  0
# Heavy Atoms:  10

Download Data

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Similar NPs/Drugs