Natural Product: NPC183845

Natural Product ID:  NPC183845
Common Name:   (S)-2-Aminoadipic Acid
IUPAC Name:   (2S)-2-azaniumyl-6-hydroxy-6-oxohexanoate
Synonyms:   (S)-Aminoadipic Acid; 2-Amino-Hexanedioic Acid; L-2-Aminoadipic Acid
Molecular Formula:   C6H11NO4
Standard InCHIKey:  OYIFNHCXNCRBQI-BYPYZUCNSA-N
Standard InCHI:  InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
Canonical SMILES:  OC(=O)CCC[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
NPO13347 Fagara tingoassuiba NA NA NA UNPD*
NPO18321 Medicago sativa Species Fabaceae Eukaryota TCM_Taiwan*
NPO29132 Agaricus campestris Species Agaricaceae Eukaryota TCM_Taiwan*
NPO23087 Thryptomene saxicola Species Myrtaceae Eukaryota UNPD*
NPO19603 Heracleum dissectum Species Apiaceae Eukaryota UNPD*
NPO22737 Caylusea abyssinica Species Resedaceae Eukaryota UNPD*
NPO22673 Turraea wakefieldii Species Meliaceae Eukaryota UNPD*
NPO18942 Artemisia borealis Species Asteraceae Eukaryota UNPD*
NPO22790 Haplophyllum acutifolium Species Rutaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3080 Individual Protein Metabotropic glutamate receptor 1 Rattus norvegicus EC50 > 1000000 nM 9357538
NPT3081 Individual Protein Metabotropic glutamate receptor 2 Rattus norvegicus EC50 = 35000 nM 9357538
NPT3082 Individual Protein Metabotropic glutamate receptor 4 Rattus norvegicus EC50 > 3000000 nM 9357538
NPT4573 Individual Protein Metabotropic glutamate receptor 6 Rattus norvegicus EC50 = 140000 nM 9357538
NPT1259 Individual Protein Metabotropic glutamate receptor 1 Homo sapiens Ki > 1000000 nM 10893301
NPT4563 Individual Protein Metabotropic glutamate receptor 2 Homo sapiens Ki = 35000 nM 10893301
NPT4565 Individual Protein Metabotropic glutamate receptor 4 Homo sapiens Ki > 3000000 nM 10893301
NPT3549 Individual Protein Metabotropic glutamate receptor 5 Homo sapiens Ki > 1000000 nM 10893301
NPT3757 Individual Protein Metabotropic glutamate receptor 6 Homo sapiens Ki = 140000 nM 10893301
NPT1259 Individual Protein Metabotropic glutamate receptor 1 Homo sapiens EC50 > 1000000 nM 8759641
NPT4563 Individual Protein Metabotropic glutamate receptor 2 Homo sapiens EC50 = 35000 nM 8759641
NPT4565 Individual Protein Metabotropic glutamate receptor 4 Homo sapiens EC50 > 3000000 nM 8759641
NPT3757 Individual Protein Metabotropic glutamate receptor 6 Homo sapiens EC50 = 140000 nM 8759641
NPT3080 Individual Protein Metabotropic glutamate receptor 1 Rattus norvegicus EC50 > 1000000 nM 12213064
NPT4570 Individual Protein Metabotropic glutamate receptor 5 Rattus norvegicus EC50 > 1000000 nM 12213064
NPT3081 Individual Protein Metabotropic glutamate receptor 2 Rattus norvegicus EC50 = 35000 nM 12213064
NPT3082 Individual Protein Metabotropic glutamate receptor 4 Rattus norvegicus EC50 > 3000000 nM 12213064
NPT1970 Cell Line THP-1 Homo sapiens ED50 > 100000 nM 15689171
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 3162.3 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 15.8 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 26679.5 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 849.2 nM PubChem BioAssay data set
NPT533 Protein-Protein Interaction Runt-related transcription factor 1/Core-binding factor subunit beta Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 100 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 29081 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 20 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29081 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 29.1 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 NPC183845 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 NPC279661
0.88 High Similarity NPC112890
0.88 High Similarity NPC316231
0.88 High Similarity NPC324825
0.86 High Similarity NPC140872
0.86 High Similarity NPC93081
0.8163 Intermediate Similarity NPC323974
0.8033 Intermediate Similarity NPC188231
0.8033 Intermediate Similarity NPC222327
0.8 Intermediate Similarity NPC327698
0.8 Intermediate Similarity NPC118459
0.7959 Intermediate Similarity NPC276294
0.7719 Intermediate Similarity NPC278209
0.7593 Intermediate Similarity NPC137958
0.7593 Intermediate Similarity NPC273330
0.7586 Intermediate Similarity NPC189301
0.7586 Intermediate Similarity NPC176164
0.7458 Intermediate Similarity NPC276928
0.7458 Intermediate Similarity NPC64250
0.7458 Intermediate Similarity NPC254541
0.7458 Intermediate Similarity NPC268927
0.7458 Intermediate Similarity NPC320598
0.7407 Intermediate Similarity NPC174246
0.7407 Intermediate Similarity NPC43204
0.7407 Intermediate Similarity NPC245027
0.7407 Intermediate Similarity NPC84636
0.7407 Intermediate Similarity NPC62045
0.7407 Intermediate Similarity NPC226027
0.7407 Intermediate Similarity NPC162620
0.7358 Intermediate Similarity NPC101249
0.7333 Intermediate Similarity NPC68974
0.7288 Intermediate Similarity NPC302003
0.7288 Intermediate Similarity NPC245346
0.7288 Intermediate Similarity NPC11433
0.7273 Intermediate Similarity NPC50457
0.72 Intermediate Similarity NPC326992
0.72 Intermediate Similarity NPC168375
0.72 Intermediate Similarity NPC121517
0.7143 Intermediate Similarity NPC155512
0.7069 Intermediate Similarity NPC2801
0.7018 Intermediate Similarity NPC190184
0.7018 Intermediate Similarity NPC197087
0.6981 Remote Similarity NPC329263
0.697 Remote Similarity NPC15864
0.6949 Remote Similarity NPC325985
0.6935 Remote Similarity NPC118429
0.6923 Remote Similarity NPC291186
0.6923 Remote Similarity NPC167986
0.6912 Remote Similarity NPC315897
0.6875 Remote Similarity NPC278881
0.6792 Remote Similarity NPC132307
0.6792 Remote Similarity NPC126925
0.6792 Remote Similarity NPC325097
0.6719 Remote Similarity NPC226453
0.6719 Remote Similarity NPC103130
0.6667 Remote Similarity NPC38463
0.6667 Remote Similarity NPC208793
0.6667 Remote Similarity NPC314221
0.6667 Remote Similarity NPC285322
0.6667 Remote Similarity NPC60424
0.6613 Remote Similarity NPC321536
0.6567 Remote Similarity NPC107224
0.6545 Remote Similarity NPC49952
0.6545 Remote Similarity NPC136476
0.6538 Remote Similarity NPC53449
0.6538 Remote Similarity NPC66043
0.6515 Remote Similarity NPC327985
0.6508 Remote Similarity NPC143722
0.65 Remote Similarity NPC322573
0.6471 Remote Similarity NPC18188
0.6452 Remote Similarity NPC190385
0.6452 Remote Similarity NPC319279
0.6429 Remote Similarity NPC136159
0.6429 Remote Similarity NPC185084
0.6418 Remote Similarity NPC196359
0.6418 Remote Similarity NPC135539
0.6418 Remote Similarity NPC221764
0.6418 Remote Similarity NPC78312
0.64 Remote Similarity NPC116709
0.64 Remote Similarity NPC272614
0.64 Remote Similarity NPC21290
0.6379 Remote Similarity NPC315977
0.6379 Remote Similarity NPC125736
0.6349 Remote Similarity NPC327748
0.6349 Remote Similarity NPC317143
0.6349 Remote Similarity NPC316826
0.6349 Remote Similarity NPC321468
0.6316 Remote Similarity NPC153370
0.629 Remote Similarity NPC318260
0.629 Remote Similarity NPC317147
0.6275 Remote Similarity NPC63621
0.6269 Remote Similarity NPC287693
0.625 Remote Similarity NPC213876
0.625 Remote Similarity NPC329564
0.625 Remote Similarity NPC185755
0.625 Remote Similarity NPC327170
0.625 Remote Similarity NPC309658
0.6232 Remote Similarity NPC322274
0.6232 Remote Similarity NPC133183
0.6226 Remote Similarity NPC237525
0.6226 Remote Similarity NPC326212
0.6212 Remote Similarity NPC106216
0.6212 Remote Similarity NPC88898
0.6212 Remote Similarity NPC289691
0.6207 Remote Similarity NPC170739
0.6207 Remote Similarity NPC93888
0.6207 Remote Similarity NPC152451
0.6207 Remote Similarity NPC193989
0.6207 Remote Similarity NPC270805
0.6182 Remote Similarity NPC198301
0.6167 Remote Similarity NPC263065
0.6167 Remote Similarity NPC189178
0.6122 Remote Similarity NPC328710
0.6122 Remote Similarity NPC18224
0.6119 Remote Similarity NPC174304
0.6119 Remote Similarity NPC325597
0.6119 Remote Similarity NPC50047
0.6056 Remote Similarity NPC328457
0.6029 Remote Similarity NPC325534
0.6 Remote Similarity NPC322946
0.6 Remote Similarity NPC200550
0.6 Remote Similarity NPC155156
0.597 Remote Similarity NPC315744
0.5968 Remote Similarity NPC327831
0.5968 Remote Similarity NPC102815
0.5965 Remote Similarity NPC297220
0.5942 Remote Similarity NPC118524
0.5932 Remote Similarity NPC328378
0.5909 Remote Similarity NPC302188
0.5902 Remote Similarity NPC317815
0.5902 Remote Similarity NPC333075
0.5902 Remote Similarity NPC274499
0.5902 Remote Similarity NPC8488
0.589 Remote Similarity NPC320221
0.5882 Remote Similarity NPC472609
0.5862 Remote Similarity NPC204364
0.5862 Remote Similarity NPC181588
0.5857 Remote Similarity NPC319046
0.5833 Remote Similarity NPC114990
0.5818 Remote Similarity NPC226265
0.5818 Remote Similarity NPC254482
0.5818 Remote Similarity NPC219143
0.5818 Remote Similarity NPC326808
0.5818 Remote Similarity NPC110533
0.5818 Remote Similarity NPC317691
0.5811 Remote Similarity NPC327272
0.5806 Remote Similarity NPC60672
0.5806 Remote Similarity NPC316889
0.5806 Remote Similarity NPC322091
0.5806 Remote Similarity NPC321118
0.5802 Remote Similarity NPC90476
0.5802 Remote Similarity NPC69374
0.58 Remote Similarity NPC175342
0.5775 Remote Similarity NPC126779
0.5769 Remote Similarity NPC219340
0.5769 Remote Similarity NPC134782
0.5769 Remote Similarity NPC9294
0.5763 Remote Similarity NPC327542
0.5763 Remote Similarity NPC193872
0.5758 Remote Similarity NPC177191
0.5738 Remote Similarity NPC29950
0.5738 Remote Similarity NPC19576
0.569 Remote Similarity NPC228932
0.569 Remote Similarity NPC198196
0.5667 Remote Similarity NPC286989
0.5652 Remote Similarity NPC160661
0.5645 Remote Similarity NPC329495

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC183845 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
0.88 High Similarity NPD9044 Approved
0.88 High Similarity NPD9016 Clinical (unspecified phase)
0.86 High Similarity NPD8808 Approved
0.86 High Similarity NPD8809 Approved
0.8163 Intermediate Similarity NPD9019 Approved
0.7593 Intermediate Similarity NPD8871 Approved
0.7593 Intermediate Similarity NPD8872 Phase 3
0.7407 Intermediate Similarity NPD9018 Approved
0.7407 Intermediate Similarity NPD9017 Approved
0.7358 Intermediate Similarity NPD8866 Approved
0.7358 Intermediate Similarity NPD8867 Approved
0.7321 Intermediate Similarity NPD8851 Phase 1
0.7288 Intermediate Similarity NPD8865 Approved
0.7241 Intermediate Similarity NPD8981 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD8980 Approved
0.7241 Intermediate Similarity NPD8979 Approved
0.7018 Intermediate Similarity NPD8785 Approved
0.6935 Remote Similarity NPD9014 Approved
0.6923 Remote Similarity NPD8805 Approved
0.6923 Remote Similarity NPD9421 Phase 1
0.6923 Remote Similarity NPD8804 Approved
0.6912 Remote Similarity NPD1825 Clinical (unspecified phase)
0.6792 Remote Similarity NPD8798 Approved
0.6721 Remote Similarity NPD9433 Approved
0.6719 Remote Similarity NPD9047 Approved
0.6719 Remote Similarity NPD9048 Approved
0.6719 Remote Similarity NPD9046 Phase 3
0.6719 Remote Similarity NPD9045 Approved
0.6667 Remote Similarity NPD8610 Approved
0.6667 Remote Similarity NPD9454 Approved
0.6567 Remote Similarity NPD9451 Clinical (unspecified phase)
0.6562 Remote Similarity NPD9676 Phase 3
0.6471 Remote Similarity NPD8623 Phase 1
0.6452 Remote Similarity NPD9439 Approved
0.6452 Remote Similarity NPD9023 Clinical (unspecified phase)
0.6452 Remote Similarity NPD9438 Approved
0.6429 Remote Similarity NPD8973 Approved
0.6429 Remote Similarity NPD8850 Approved
0.6429 Remote Similarity NPD6944 Clinical (unspecified phase)
0.6429 Remote Similarity NPD8972 Approved
0.6418 Remote Similarity NPD9231 Phase 3
0.6418 Remote Similarity NPD9233 Phase 3
0.6418 Remote Similarity NPD9232 Phase 2
0.6418 Remote Similarity NPD8868 Approved
0.64 Remote Similarity NPD8210 Phase 3
0.64 Remote Similarity NPD8211 Approved
0.6338 Remote Similarity NPD9217 Clinical (unspecified phase)
0.6333 Remote Similarity NPD631 Approved
0.6333 Remote Similarity NPD630 Approved
0.6316 Remote Similarity NPD8614 Approved
0.6269 Remote Similarity NPD9201 Clinical (unspecified phase)
0.625 Remote Similarity NPD632 Discontinued
0.625 Remote Similarity NPD8801 Approved
0.625 Remote Similarity NPD8982 Approved
0.623 Remote Similarity NPD8971 Approved
0.6207 Remote Similarity NPD9021 Approved
0.6207 Remote Similarity NPD8947 Approved
0.6207 Remote Similarity NPD8624 Approved
0.6207 Remote Similarity NPD8803 Clinical (unspecified phase)
0.6207 Remote Similarity NPD8946 Approved
0.6207 Remote Similarity NPD8802 Approved
0.6167 Remote Similarity NPD9204 Approved
0.6167 Remote Similarity NPD9205 Approved
0.6133 Remote Similarity NPD617 Approved
0.6119 Remote Similarity NPD348 Approved
0.6111 Remote Similarity NPD8609 Approved
0.6111 Remote Similarity NPD366 Approved
0.6034 Remote Similarity NPD8873 Approved
0.6029 Remote Similarity NPD8952 Approved
0.6 Remote Similarity NPD9441 Phase 2
0.5942 Remote Similarity NPD1429 Clinical (unspecified phase)
0.5942 Remote Similarity NPD886 Clinical (unspecified phase)
0.5915 Remote Similarity NPD2220 Clinical (unspecified phase)
0.5909 Remote Similarity NPD9656 Approved
0.5902 Remote Similarity NPD8849 Clinical (unspecified phase)
0.5862 Remote Similarity NPD8810 Clinical (unspecified phase)
0.5857 Remote Similarity NPD4241 Registered
0.5857 Remote Similarity NPD337 Discontinued
0.5833 Remote Similarity NPD2682 Approved
0.5833 Remote Similarity NPD2262 Clinical (unspecified phase)
0.5818 Remote Similarity NPD8214 Approved
0.5818 Remote Similarity NPD8216 Approved
0.5818 Remote Similarity NPD8217 Clinical (unspecified phase)
0.5818 Remote Similarity NPD8215 Approved
0.5775 Remote Similarity NPD4242 Approved
0.5769 Remote Similarity NPD9385 Clinical (unspecified phase)
0.5738 Remote Similarity NPD61 Approved
0.5738 Remote Similarity NPD8846 Approved
0.5738 Remote Similarity NPD8847 Approved
0.5696 Remote Similarity NPD9307 Phase 1
0.569 Remote Similarity NPD9020 Approved
0.5632 Remote Similarity NPD573 Clinical (unspecified phase)
0.5614 Remote Similarity NPD9062 Phase 2

Structure

External Identifiers

PubChem CID   59066632;92136
ChEMBL   CHEMBL88804
ZINC  

Physicochemical Properties

Molecular Weight:  161.07
ALogP:  -1.9278
MLogP:  1.57
XLogP:  -2.991
# Rotatable Bonds:  8
Polar Surface Area:  100.62
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  11

Download Data

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Biological Activities  
Similar NPs/Drugs