Natural Product: NPC69374

Natural Product ID:  NPC69374
Common Name:   Kainic Acid
IUPAC Name:   (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidin-1-ium-2-carboxylate
Synonyms:   Kainic Acid
Molecular Formula:   C10H15NO4
Standard InCHIKey:  VLSMHEGGTFMBBZ-OOZYFLPDSA-N
Standard InCHI:  InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
Canonical SMILES:  OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)C(=C)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
NPO28493 Euphorbia cuneata Species Euphorbiaceae Eukaryota UNPD*
NPO28505 Arum palaestinum Species Araceae Eukaryota UNPD*
NPO28645 Chondria armata Species Rhodomelaceae Eukaryota UNPD*
NPO28279 Mikania cordifolia Species Asteraceae Eukaryota UNPD*
NPO12214 Leontice robustum Species Berberidaceae Eukaryota UNPD*
NPO21945 Amomum melegueta Species Zingiberaceae Eukaryota UNPD*
NPO28420 Guizotia scabra Species Asteraceae Eukaryota UNPD*
NPO28403 Comanthus bennetti Species Comatulidae Eukaryota UNPD*
NPO28314 Hakea trifurcata Species Proteaceae Eukaryota UNPD*
NPO28156 Nezara viridula Species Pentatomidae Eukaryota UNPD*
NPO27849 Raoulia australis Species Asteraceae Eukaryota UNPD*
NPO28522 Flustra denticulata Species Flustridae Eukaryota UNPD*
NPO27969 Elvira biflora Species Trochilidae Eukaryota UNPD*
NPO29703 Abri herba NA NA NA TCMSP*
NPO25628 Abrus pulchellus Species Fabaceae Eukaryota TCMID*
NPO8159 Digenea simplex Species Rhodomelaceae Eukaryota TCMID*
NPO28331 Astragalus siculus Species Fabaceae Eukaryota UNPD*
NPO28996 Caloglossa leprieurii Species Delesseriaceae Eukaryota TCMID*
NPO27701 Otholobium glandulosum Species Fabaceae Eukaryota UNPD*
NPO27917 Ulmus campestris Species Ulmaceae Eukaryota UNPD*
NPO28082 Corydalis tashiroi Species Papaveraceae Eukaryota UNPD*
NPO28122 Senecio chionophilus Species Asteraceae Eukaryota UNPD*
NPO27889 Anacyclus monanthos Species Asteraceae Eukaryota UNPD*
NPO27768 Terminalia brachystemma Species Combretaceae Eukaryota UNPD*
NPO28105 Coriolopsis gallica Species Coriolaceae Eukaryota UNPD*
NPO28539 Xestospongia vanilla Species Petrosiidae Eukaryota UNPD*
NPO28227 Prunus speciosa Species Rosaceae Eukaryota UNPD*
NPO28030 Polysiphonia nigra Species Rhodomelaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3737 Individual Protein Glutamate receptor ionotropic kainate 2 Homo sapiens Ki = 53 nM 8809152
NPT3738 Individual Protein Glutamate receptor ionotropic kainate 2 Rattus norvegicus Ki = 3.7 nM 8809152
NPT3739 Protein Complex Glutamate receptor ionotropic, AMPA Rattus norvegicus IC50 = 4000 nM 9651156
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 7 nM 9651156
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 > 100000 nM 9651156
NPT3739 Protein Complex Glutamate receptor ionotropic, AMPA Rattus norvegicus IC50 = 4000 nM 8648608
NPT3739 Protein Complex Glutamate receptor ionotropic, AMPA Rattus norvegicus IC50 = 100000 nM 8648608
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 > 100000 nM 8648608
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 16 nM 8648608
NPT3741 Individual Protein Glutamate receptor ionotropic, AMPA 1 Homo sapiens Ki = 7449 nM 10821708
NPT3742 Individual Protein Glutamate receptor ionotropic, AMPA 2 Homo sapiens Ki = 12221 nM 10821708
NPT3743 Individual Protein Glutamate receptor ionotropic, AMPA 4 Homo sapiens Ki = 1714 nM 10821708
NPT3744 Individual Protein Glutamate receptor ionotropic kainate 1 Homo sapiens Ki = 177 nM 10821708
NPT3744 Individual Protein Glutamate receptor ionotropic kainate 1 Homo sapiens EC50 = 16200 nM 10821708
NPT3737 Individual Protein Glutamate receptor ionotropic kainate 2 Homo sapiens Ki = 32 nM 10821708
NPT3737 Individual Protein Glutamate receptor ionotropic kainate 2 Homo sapiens EC50 = 700 nM 10821708
NPT3745 Individual Protein Glutamate receptor ionotropic kainate 5 Homo sapiens Ki = 8 nM 10821708
NPT3746 Individual Protein Glutamate receptor ionotropic kainate 3 Homo sapiens Ki = 10 nM 10821708
NPT2 Others Unspecified EC50 = 12000 nM 10821708
NPT3739 Protein Complex Glutamate receptor ionotropic, AMPA Rattus norvegicus IC50 = 4000 nM 9748350
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 7 nM 9748350
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 > 100000 nM 9748350
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus EC50 = 25000 nM 9748350
NPT32 Organism Mus musculus Mus musculus CD50 = 0.015 nM 9748350
NPT32 Organism Mus musculus Mus musculus CD50 = 0.024 nM 9748350
NPT32 Organism Mus musculus Mus musculus CD50 = 0.071 nM 9748350
NPT32 Organism Mus musculus Mus musculus CD50 = 0.094 nM 9748350
NPT32 Organism Mus musculus Mus musculus CD50 = 0.032 nM 9748350
NPT32 Organism Mus musculus Mus musculus CD50 = 0.232 nM 9748350
NPT32 Organism Mus musculus Mus musculus CD50 = 0.468 nM 9748350
NPT2 Others Unspecified Ratio = 1.6 9748350
NPT2 Others Unspecified Ratio = 4.7 9748350
NPT2 Others Unspecified Ratio = 6.3 9748350
NPT2 Others Unspecified Activity = 103 % 1652018
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 32 % 10.1016/S0960-894X(00)80228-0
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 45 % 10.1016/S0960-894X(00)80228-0
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 5.4 nM 9379437
NPT29 Organism Rattus norvegicus Rattus norvegicus EC50 = 3700 nM 9379437
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 4.3 nM 10.1016/0960-894X(96)00436-2
NPT3739 Protein Complex Glutamate receptor ionotropic, AMPA Rattus norvegicus IC50 = 2000 nM 10.1016/0960-894X(96)00436-2
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 > 100000 nM 10.1016/0960-894X(96)00436-2
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus Activity = 243 % 9572889
NPT3739 Protein Complex Glutamate receptor ionotropic, AMPA Rattus norvegicus IC50 = 6000 nM 7512140
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 20 nM 7512140
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 > 100000 nM 7512140
NPT1163 Individual Protein Glutamate (NMDA) receptor subunit zeta 1 Rattus norvegicus IC50 > 100000 nM 7512140
NPT29 Organism Rattus norvegicus Rattus norvegicus Ki = 3801.89 nM 7512140
NPT29 Organism Rattus norvegicus Rattus norvegicus Ki = 1.17E+12 nM 7512140
NPT3741 Individual Protein Glutamate receptor ionotropic, AMPA 1 Homo sapiens Ki = 7450 nM 9357531
NPT3742 Individual Protein Glutamate receptor ionotropic, AMPA 2 Homo sapiens Ki = 12200 nM 9357531
NPT3743 Individual Protein Glutamate receptor ionotropic, AMPA 4 Homo sapiens Ki = 1710 nM 9357531
NPT3745 Individual Protein Glutamate receptor ionotropic kainate 5 Homo sapiens Ki = 177 nM 9357531
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 13 nM 6325690
NPT3739 Protein Complex Glutamate receptor ionotropic, AMPA Rattus norvegicus IC50 = 4000 nM 1370693
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 16 nM 1370693
NPT2 Others Unspecified IC50 > 100000 nM 1370693
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 17.8 nM 6317861
NPT3744 Individual Protein Glutamate receptor ionotropic kainate 1 Homo sapiens EC50 = 16200 nM 10969973
NPT3737 Individual Protein Glutamate receptor ionotropic kainate 2 Homo sapiens EC50 = 700 nM 10969973
NPT3748 Individual Protein Glutamate receptor ionotropic kainate 1 Rattus norvegicus EC50 = 12000 nM 10969973
NPT3741 Individual Protein Glutamate receptor ionotropic, AMPA 1 Homo sapiens Ki = 7500 nM 10969973
NPT3742 Individual Protein Glutamate receptor ionotropic, AMPA 2 Homo sapiens Ki = 12200 nM 10969973
NPT3743 Individual Protein Glutamate receptor ionotropic, AMPA 4 Homo sapiens Ki = 1710 nM 10969973
NPT3744 Individual Protein Glutamate receptor ionotropic kainate 1 Homo sapiens Ki = 177 nM 10969973
NPT3737 Individual Protein Glutamate receptor ionotropic kainate 2 Homo sapiens Ki = 32.4 nM 10969973
NPT3745 Individual Protein Glutamate receptor ionotropic kainate 5 Homo sapiens Ki = 80 nM 10969973
NPT3746 Individual Protein Glutamate receptor ionotropic kainate 3 Homo sapiens Ki = 10 nM 10969973
NPT3739 Protein Complex Glutamate receptor ionotropic, AMPA Rattus norvegicus IC50 = 4000 nM 10514280
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 7 nM 10514280
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 > 100000 nM 10514280
NPT29 Organism Rattus norvegicus Rattus norvegicus EC50 = 25000 nM 10514280
NPT32 Organism Mus musculus Mus musculus CD50 = 0.015 nM mouse-1 10514280
NPT32 Organism Mus musculus Mus musculus CD50 = 0.032 nM mouse-1 10514280
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 11 nM 7629789
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 10 nM 2985786
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 > 100000 nM 10.1016/S0960-894X(00)80035-9
NPT3739 Protein Complex Glutamate receptor ionotropic, AMPA Rattus norvegicus IC50 = 4000 nM 10.1016/S0960-894X(00)80035-9
NPT3740 Protein Complex Glutamate receptor ionotropic, kainate Rattus norvegicus IC50 = 16 nM 10.1016/S0960-894X(00)80035-9
NPT218 Individual Protein Adenosine A3 receptor Homo sapiens IC50 = 77 nM 16250647
NPT3739 Protein Complex Glutamate receptor ionotropic, AMPA Rattus norvegicus Ki = 29.7 nM 16302825
NPT3738 Individual Protein Glutamate receptor ionotropic kainate 2 Rattus norvegicus Kd = 39 nM 16302825
NPT2 Others Unspecified Activity = 10.5 nM 17410128
NPT3750 Individual Protein Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus Ki = 477 nM 18811139
NPT3751 Individual Protein Glutamate receptor ionotropic, AMPA 2 Rattus norvegicus Ki = 3690 nM 18811139
NPT3752 Individual Protein Glutamate receptor ionotropic, AMPA 3 Rattus norvegicus Ki = 1980 nM 18811139
NPT3753 Individual Protein Glutamate receptor ionotropic, AMPA 4 Rattus norvegicus Ki = 3570 nM 18811139
NPT3748 Individual Protein Glutamate receptor ionotropic kainate 1 Rattus norvegicus Ki = 76 nM 18811139
NPT3738 Individual Protein Glutamate receptor ionotropic kainate 2 Rattus norvegicus Ki = 12.7 nM 18811139
NPT2 Others Unspecified Ki = 35 nM 8496700
NPT2 Others Unspecified Activity = 90 % 8496700
NPT3754 Individual Protein Glutamate receptor ionotropic kainate 4 Rattus norvegicus Ki = 4.7 nM 18578478
NPT3755 Individual Protein Glutamate receptor ionotropic kainate 5 Rattus norvegicus Ki = 15 nM 18578478
NPT3748 Individual Protein Glutamate receptor ionotropic kainate 1 Rattus norvegicus Ki = 75.9 nM 18578478
NPT3748 Individual Protein Glutamate receptor ionotropic kainate 1 Rattus norvegicus Ki = 70.79 nM 18578478
NPT3738 Individual Protein Glutamate receptor ionotropic kainate 2 Rattus norvegicus Ki = 12.7 nM 18578478
NPT3738 Individual Protein Glutamate receptor ionotropic kainate 2 Rattus norvegicus Ki = 12.3 nM 18578478
NPT3756 Individual Protein Glutamate receptor ionotropic kainate 3 Rattus norvegicus Ki = 32.8 nM 18578478
NPT3756 Individual Protein Glutamate receptor ionotropic kainate 3 Rattus norvegicus Ki = 3.802 nM 18578478
NPT3750 Individual Protein Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus EC50 = 23000 nM 19588945
NPT3750 Individual Protein Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus Activity = 18 % 19588945
NPT3751 Individual Protein Glutamate receptor ionotropic, AMPA 2 Rattus norvegicus EC50 = 380000 nM 19588945
NPT3751 Individual Protein Glutamate receptor ionotropic, AMPA 2 Rattus norvegicus Activity = 15 % 19588945
NPT3752 Individual Protein Glutamate receptor ionotropic, AMPA 3 Rattus norvegicus EC50 = 40000 nM 19588945
NPT3752 Individual Protein Glutamate receptor ionotropic, AMPA 3 Rattus norvegicus Activity = 45 % 19588945
NPT3753 Individual Protein Glutamate receptor ionotropic, AMPA 4 Rattus norvegicus EC50 = 47000 nM 19588945
NPT3753 Individual Protein Glutamate receptor ionotropic, AMPA 4 Rattus norvegicus Activity = 55 % 19588945
NPT3748 Individual Protein Glutamate receptor ionotropic kainate 1 Rattus norvegicus EC50 = 37000 nM 19588945
NPT3748 Individual Protein Glutamate receptor ionotropic kainate 1 Rattus norvegicus Activity = 97 % 19588945
NPT3738 Individual Protein Glutamate receptor ionotropic kainate 2 Rattus norvegicus EC50 = 1800 nM 19588945
NPT3738 Individual Protein Glutamate receptor ionotropic kainate 2 Rattus norvegicus Activity = 98 % 19588945
NPT3549 Individual Protein Metabotropic glutamate receptor 5 Homo sapiens EC50 = 33600 nM 19819046
NPT3757 Individual Protein Metabotropic glutamate receptor 6 Homo sapiens EC50 = 299000 nM 19819046
NPT2 Others Unspecified EC50 = 57500 nM 20096591
NPT2 Others Unspecified EC50 = 64600 nM 20096591
NPT3741 Individual Protein Glutamate receptor ionotropic, AMPA 1 Homo sapiens EC50 = 7510 nM 20096591
NPT3742 Individual Protein Glutamate receptor ionotropic, AMPA 2 Homo sapiens EC50 = 10570 nM 20096591
NPT3758 Individual Protein Glutamate receptor ionotropic, AMPA 3 Homo sapiens EC50 = 26610 nM 20096591
NPT2 Others Unspecified EC50 = 29060 nM 20096591
NPT3750 Individual Protein Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus EC50 = 27000 nM 20096591
NPT3752 Individual Protein Glutamate receptor ionotropic, AMPA 3 Rattus norvegicus EC50 = 31000 nM 20096591
NPT3750 Individual Protein Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus EC50 = 23000 nM 20096591
NPT3751 Individual Protein Glutamate receptor ionotropic, AMPA 2 Rattus norvegicus EC50 = 380000 nM 20096591
NPT3752 Individual Protein Glutamate receptor ionotropic, AMPA 3 Rattus norvegicus EC50 = 40000 nM 20096591
NPT3753 Individual Protein Glutamate receptor ionotropic, AMPA 4 Rattus norvegicus EC50 = 47000 nM 20096591
NPT3741 Individual Protein Glutamate receptor ionotropic, AMPA 1 Homo sapiens EC50 = 73000 nM 20096591
NPT3741 Individual Protein Glutamate receptor ionotropic, AMPA 1 Homo sapiens EC50 = 60000 nM 20096591
NPT2 Others Unspecified Ki > 100000 nM 20408529
NPT2 Others Unspecified IC50 = 7 nM 20408529
NPT2 Others Unspecified IC50 = 4000 nM 20408529
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 631 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 5011.9 nM PubChem BioAssay data set
NPT794 Individual Protein Endonuclease 4 Escherichia coli K-12 Potency = 15848.9 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 35481.3 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 39810.7 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 12589.3 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 12589.3 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 17782.8 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 125.9 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi EC50 = 3000 nM 20547819
NPT2 Others Unspecified Ratio EC50 = 4.3 20547819
NPT2 Others Unspecified IC50 = 68 nM 20875743
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 33807.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Kb = 27.2 nM 21619066
NPT2 Others Unspecified Kb = 703.6 nM 21619066
NPT2 Others Unspecified Kb = 2150 nM 21619066
NPT2 Others Unspecified Potency 31622.8 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 354.8 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 730.8 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = -5.89 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 4.53 % 23062825
NPT3751 Individual Protein Glutamate receptor ionotropic, AMPA 2 Rattus norvegicus Ki = 6300 nM 23414088
NPT2 Others Unspecified Potency 21136 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7499.3 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 106.3 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 103.1 % 23571415
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18833.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 44668.4 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 NPC69374 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 NPC90476
0.8977 High Similarity NPC40663
0.7531 Intermediate Similarity NPC15864
0.6867 Remote Similarity NPC188231
0.6867 Remote Similarity NPC222327
0.6709 Remote Similarity NPC11433
0.6709 Remote Similarity NPC245346
0.6709 Remote Similarity NPC302003
0.6705 Remote Similarity NPC327272
0.6627 Remote Similarity NPC50047
0.6571 Remote Similarity NPC265094
0.6545 Remote Similarity NPC76660
0.6545 Remote Similarity NPC276995
0.6542 Remote Similarity NPC271562
0.6531 Remote Similarity NPC304455
0.6481 Remote Similarity NPC15413
0.6476 Remote Similarity NPC471258
0.6322 Remote Similarity NPC322274
0.6311 Remote Similarity NPC3604
0.6296 Remote Similarity NPC471259
0.6279 Remote Similarity NPC60424
0.6279 Remote Similarity NPC314221
0.625 Remote Similarity NPC469466
0.622 Remote Similarity NPC276928
0.622 Remote Similarity NPC64250
0.622 Remote Similarity NPC268927
0.6174 Remote Similarity NPC209734
0.6154 Remote Similarity NPC471257
0.6129 Remote Similarity NPC314680
0.6092 Remote Similarity NPC196359
0.6092 Remote Similarity NPC135539
0.6092 Remote Similarity NPC78312
0.6092 Remote Similarity NPC221764
0.6075 Remote Similarity NPC188785
0.6044 Remote Similarity NPC320221
0.6 Remote Similarity NPC236644
0.598 Remote Similarity NPC47230
0.598 Remote Similarity NPC17143
0.5977 Remote Similarity NPC325534
0.5977 Remote Similarity NPC287693
0.5976 Remote Similarity NPC278209
0.5963 Remote Similarity NPC471260
0.5962 Remote Similarity NPC313265
0.5941 Remote Similarity NPC322966
0.5932 Remote Similarity NPC471261
0.5877 Remote Similarity NPC147238
0.5875 Remote Similarity NPC8488
0.5875 Remote Similarity NPC274499
0.5875 Remote Similarity NPC333075
0.5847 Remote Similarity NPC235625
0.5823 Remote Similarity NPC137958
0.5823 Remote Similarity NPC273330
0.5802 Remote Similarity NPC183845
0.5802 Remote Similarity NPC279661
0.5783 Remote Similarity NPC473936
0.5772 Remote Similarity NPC474371
0.575 Remote Similarity NPC139867
0.5743 Remote Similarity NPC202056
0.5739 Remote Similarity NPC30911
0.5739 Remote Similarity NPC316984
0.5732 Remote Similarity NPC2801
0.5714 Remote Similarity NPC67043
0.5696 Remote Similarity NPC174246
0.5696 Remote Similarity NPC245027
0.5696 Remote Similarity NPC162620
0.5696 Remote Similarity NPC226027
0.5696 Remote Similarity NPC84636
0.5696 Remote Similarity NPC62045
0.5696 Remote Similarity NPC43204
0.5686 Remote Similarity NPC304454
0.5686 Remote Similarity NPC324506
0.5682 Remote Similarity NPC160661
0.5673 Remote Similarity NPC236322
0.5673 Remote Similarity NPC476019
0.5667 Remote Similarity NPC107224
0.5656 Remote Similarity NPC471262
0.5641 Remote Similarity NPC193471
0.5641 Remote Similarity NPC130124
0.562 Remote Similarity NPC88190
0.5614 Remote Similarity NPC171734
0.5612 Remote Similarity NPC219340

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC69374 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
0.7159 Intermediate Similarity NPD617 Approved
0.6747 Remote Similarity NPD9201 Clinical (unspecified phase)
0.6709 Remote Similarity NPD8865 Approved
0.6667 Remote Similarity NPD9421 Phase 1
0.6633 Remote Similarity NPD2682 Approved
0.6559 Remote Similarity NPD1125 Discovery
0.6404 Remote Similarity NPD9217 Clinical (unspecified phase)
0.625 Remote Similarity NPD3713 Approved
0.625 Remote Similarity NPD3714 Approved
0.625 Remote Similarity NPD3715 Approved
0.6222 Remote Similarity NPD9109 Discontinued
0.6092 Remote Similarity NPD8868 Approved
0.6087 Remote Similarity NPD747 Discontinued
0.6049 Remote Similarity NPD9454 Approved
0.6042 Remote Similarity NPD857 Phase 3
0.5977 Remote Similarity NPD8952 Approved
0.5962 Remote Similarity NPD573 Clinical (unspecified phase)
0.596 Remote Similarity NPD7759 Phase 2
0.596 Remote Similarity NPD7760 Phase 2
0.5943 Remote Similarity NPD842 Phase 3
0.5902 Remote Similarity NPD3073 Approved
0.5902 Remote Similarity NPD3071 Approved
0.5902 Remote Similarity NPD3072 Approved
0.5889 Remote Similarity NPD9649 Approved
0.5889 Remote Similarity NPD2220 Clinical (unspecified phase)
0.5842 Remote Similarity NPD621 Discontinued
0.5823 Remote Similarity NPD8872 Phase 3
0.5823 Remote Similarity NPD8871 Approved
0.582 Remote Similarity NPD4761 Approved
0.582 Remote Similarity NPD4762 Approved
0.5778 Remote Similarity NPD620 Approved
0.5773 Remote Similarity NPD9385 Clinical (unspecified phase)
0.575 Remote Similarity NPD1689 Approved
0.5748 Remote Similarity NPD5263 Approved
0.5748 Remote Similarity NPD4676 Approved
0.5739 Remote Similarity NPD2204 Approved
0.5732 Remote Similarity NPD8971 Approved
0.5714 Remote Similarity NPD9307 Phase 1
0.5696 Remote Similarity NPD9018 Approved
0.5696 Remote Similarity NPD9017 Approved
0.5696 Remote Similarity NPD9016 Clinical (unspecified phase)
0.5679 Remote Similarity NPD8851 Phase 1
0.5669 Remote Similarity NPD4177 Approved
0.5669 Remote Similarity NPD4175 Approved
0.5667 Remote Similarity NPD9451 Clinical (unspecified phase)
0.5648 Remote Similarity NPD8038 Phase 2
0.5639 Remote Similarity NPD6077 Discontinued
0.5632 Remote Similarity NPD9676 Phase 3

Structure

External Identifiers

PubChem CID   44338126;10255
ChEMBL   CHEMBL275040
ZINC  

Physicochemical Properties

Molecular Weight:  213.10
ALogP:  -0.469
MLogP:  2.01
XLogP:  -0.213
# Rotatable Bonds:  7
Polar Surface Area:  86.63
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  15

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