Natural Product: NPC57788

Natural Product ID:  NPC57788
Common Name:   Quinic Acid
IUPAC Name:  
Synonyms:   Quinic Acid; Rel-Quinic Acid
Molecular Formula:   C7H12O6
Standard InCHIKey:  AAWZDTNXLSGCEK-WYWMIBKRSA-N
Standard InCHI:  InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1
Canonical SMILES:  O[C@@H]1[C@H](O)C[C@@](C[C@H]1O)(O)C(=O)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
NPO24445 Arbacia pustulosa Species Arbaciidae Eukaryota UNPD*
NPO17094 Sinularia depressa Species Alcyoniidae Eukaryota UNPD*
NPO23499 Carpesium faberi Species Asteraceae Eukaryota UNPD*
NPO16472 Ginkgo semen Species Ginkgoaceae Eukaryota TCMSP*
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota UNPD*
NPO8506 Cotyledon secunda Species Crassulaceae Eukaryota UNPD*
NPO23114 Cacalia robusta Species Asteraceae Eukaryota UNPD*
NPO18022 Naucleopsis ternstroemiiflora Species Moraceae Eukaryota UNPD*
NPO4895 Coleus esquirolii Species Lamiaceae Eukaryota UNPD*
NPO7007 Eucalyptus jenseni Species Myrtaceae Eukaryota UNPD*
NPO29654 Lonicerae japonicae flos NA NA NA TCMSP*
NPO23413 Crematogaster africana Species Formicidae Eukaryota UNPD*
NPO10989 Annona cornifolia Species Annonaceae Eukaryota UNPD*
NPO10417 Ipomoea digitata Species Convolvulaceae Eukaryota UNPD*
NPO7841 Solanum transcaucasicum Species Solanaceae Eukaryota UNPD*
NPO7650 Salvia munzii Species Lamiaceae Eukaryota UNPD*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO18976 Centaurea arbutifolia Species Asteraceae Eukaryota UNPD*
NPO15227 Helipterum roseum Species Asteraceae Eukaryota UNPD*
NPO23364 Lambertella corni Species Rutstroemiaceae Eukaryota UNPD*
NPO15803 Artemisia assoana Species Asteraceae Eukaryota UNPD*
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota UNPD*
NPO20511 Chebulae fructus NA NA NA TCMSP*
NPO2250 Hylocomium splendens Species Hylocomiaceae Eukaryota UNPD*
NPO3408 Viguiera decurrens Species Asteraceae Eukaryota UNPD*
NPO16266 Didymium bahiense Species Didymiaceae Eukaryota UNPD*
NPO24176 Streptomyces fradiae Species Streptomycetaceae Bacteria UNPD*
NPO24048 Cladonia pityrea Species Cladoniaceae Eukaryota UNPD*
NPO23281 Aplysinella rhax Species Aplysinellidae Eukaryota UNPD*
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota UNPD*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMSP*
NPO2993 Nototodarus sloanii Species Ommastrephidae Eukaryota UNPD*
NPO8058 Pluchea odorata Species Asteraceae Eukaryota UNPD*
NPO16043 Centaurea musimomum Species Asteraceae Eukaryota UNPD*
NPO24132 Euphausia superba Species Euphausiidae Eukaryota UNPD*
NPO19535 Senecio zoellneri Species Asteraceae Eukaryota UNPD*
NPO1753 Schisandrae chinensis fructus NA NA NA TCMSP*
NPO10264 Platonia insignis Species Clusiaceae Eukaryota UNPD*
NPO15063 Leathesia nana Species Chordariaceae Eukaryota UNPD*
NPO9590 Xanthoria aureola Species Teloschistaceae Eukaryota UNPD*
NPO11538 Salvia syriaca Species Lamiaceae Eukaryota UNPD*
NPO9531 Premna latifolia Species Lamiaceae Eukaryota UNPD*
NPO20059.1 Lactobacillus delbrueckii subsp. bulgaricus Subspecies Lactobacillaceae Bacteria UNPD*
NPO12970 Aspergillus fischeri Species Aspergillaceae Eukaryota UNPD*
NPO15659 Zanthoxylum tetraspermum Species Rutaceae Eukaryota UNPD*
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota UNPD*
NPO12703 Eucalyptus melliodora Species Myrtaceae Eukaryota UNPD*
NPO2892 Wikstroemia chamaedaphne Species Thymelaeaceae Eukaryota UNPD*
NPO24083.1 Melanelixia fuliginosa subsp. glabratula Subspecies Parmeliaceae Eukaryota UNPD*
NPO10128 Aplysia punctata Species Aplysiidae Eukaryota UNPD*
NPO17400 Peltostigma guatemalense Species Rutaceae Eukaryota UNPD*
NPO14395 Lysimachia mauritiana Species Primulaceae Eukaryota UNPD*
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota UNPD*
NPO23961 Scytonema ocellatum Species Scytonemataceae Bacteria UNPD*
NPO17544 Acacia adunca Species Fabaceae Eukaryota UNPD*
NPO4120 Ulmus americana Species Ulmaceae Eukaryota UNPD*
NPO24249 Codonopsis cordifolioidea Species Campanulaceae Eukaryota UNPD*
NPO17865 Amathia pinnata Species Vesiculariidae Eukaryota UNPD*
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota UNPD*
NPO4687 Gyromitra esculenta Species Discinaceae Eukaryota UNPD*
NPO9995 Cynara humilis Species Asteraceae Eukaryota UNPD*
NPO5782 Aniba rosaeodora Species Lauraceae Eukaryota UNPD*
NPO13407 Goniothalamus malayanus Species Annonaceae Eukaryota UNPD*
NPO9476 Metapenaeus bennettae Species Penaeidae Eukaryota UNPD*
NPO23834 Chlamydomonas allensworthii Species Chlamydomonadaceae Eukaryota UNPD*
NPO17786 Marrubium anisodon Species Lamiaceae Eukaryota UNPD*
NPO5261 Sideroxylon cubense Species Sapotaceae Eukaryota UNPD*
NPO1242 Balanops australiana Species Balanopaceae Eukaryota UNPD*
NPO738 Dahlstedtia pentaphylla Species Fabaceae Eukaryota UNPD*
NPO13127 Vallaris heynei Species Apocynaceae Eukaryota UNPD*
NPO1682 Rhytidoponera metallica Species Formicidae Eukaryota UNPD*
NPO22595 Trapa bicornis Species Lythraceae Eukaryota UNPD*
NPO16611 Alstonia spathulata Species Apocynaceae Eukaryota UNPD*
NPO5975 Aspergillus carneus Species Aspergillaceae Eukaryota UNPD*
NPO777 Kielmeyera coriacea Species Calophyllaceae Eukaryota UNPD*
NPO14054 Penicillium janczewskii Species Aspergillaceae Eukaryota UNPD*
NPO20998 Machaerium kuhlmannii Species Dolichopodidae Eukaryota UNPD*
NPO21625 Bidens tripartita Species Asteraceae Eukaryota UNPD*
NPO4564 Anguilla japonica Species Anguillidae Eukaryota UNPD*
NPO4949 Salvia yosgadensis Species Lamiaceae Eukaryota UNPD*
NPO422 Euphorbia cornigera Species Euphorbiaceae Eukaryota UNPD*
NPO15538 Corymbia citriodora Species Myrtaceae Eukaryota UNPD*
NPO17169 Adiantum lunulatum Species Pteridaceae Eukaryota UNPD*
NPO15558 Leucas neufliseana Species Lamiaceae Eukaryota UNPD*
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota UNPD*
NPO9733 Spongia bilamellata Species Spongiidae Eukaryota UNPD*
NPO17472 Drechslera avenae Species Pleosporaceae Eukaryota UNPD*
NPO24005 Mytilus galloprovincialis Species Mytilidae Eukaryota UNPD*
NPO5584 Aldisa sanguinea Species Dorididae Eukaryota UNPD*
NPO17702 Astragalus sempervirens Species Fabaceae Eukaryota UNPD*
NPO22143 Genista sessilifolia Species Fabaceae Eukaryota UNPD*
NPO1467 Wedelia prostrata Species Asteraceae Eukaryota UNPD*
NPO17242 Laurencia spectabilis Species Rhodomelaceae Eukaryota UNPD*
NPO4181 Pseudoalteromonas luteoviolacea Species Pseudoalteromonadaceae Bacteria UNPD*
NPO295 Kokoona reflexa Species Celastraceae Eukaryota UNPD*
NPO6894 Elegia deusta Species Restionaceae Eukaryota UNPD*
NPO16089 Dumortiera hirsuta Species Dumortieraceae Eukaryota UNPD*
NPO6378 Wilcoxia viperina NA NA NA UNPD*
NPO7847 Senecio densiflorus Species Asteraceae Eukaryota UNPD*
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota UNPD*
NPO23318 Aconitum palmatum Species Ranunculaceae Eukaryota UNPD*
NPO12429 Acicarpha tribuloides Species Calyceraceae Eukaryota UNPD*
NPO1489 Pseudoplexaura flagellosa Species Plexauridae Eukaryota UNPD*
NPO24408 Ariocarpus fissuratus Species Cactaceae Eukaryota UNPD*
NPO849 Euonymus tingens Species Celastraceae Eukaryota UNPD*
NPO3341 Leishmania major Species Trypanosomatidae Eukaryota UNPD*
NPO23924 Psilotum nudum Species Psilotaceae Eukaryota UNPD*
NPO23792 Gomphostemma parviflorum Species Lamiaceae Eukaryota UNPD*
NPO16857 Hypericum laricifolium Species Hypericaceae Eukaryota UNPD*
NPO6231 Cortinarius odoratus Species Cortinariaceae Eukaryota UNPD*
NPO26898 Jacobaea vulgaris Species Asteraceae Eukaryota UNPD*
NPO6801 Bellium bellidioides Species Asteraceae Eukaryota UNPD*
NPO8022 Consolida hohenackeri Species Ranunculaceae Eukaryota UNPD*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCM_Taiwan*
NPO2199 Tecoma pentaphylla Species Bignoniaceae Eukaryota UNPD*
NPO18993 Araiostegiella perdurans Species Davalliaceae Eukaryota UNPD*
NPO3964 Calostephane divaricata Species Asteraceae Eukaryota UNPD*
NPO23545 Vellozia streptophylla Species Velloziaceae Eukaryota UNPD*
NPO14859 Bishovia boliviensis NA NA NA UNPD*
NPO1775 Euphorbia pekinensis Species Euphorbiaceae Eukaryota TCM_Taiwan*
NPO16369 Lepisorus ussuriensis Species Polypodiaceae Eukaryota UNPD*
NPO2697 Monodora tenuifolia Species Annonaceae Eukaryota UNPD*
NPO15487 Gymnopus confluens Species Omphalotaceae Eukaryota UNPD*
NPO4274 Alcyonium utinomii Species Alcyoniidae Eukaryota UNPD*
NPO14793 Erica glauca Species Ericaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[19212411]
NPO2015 Udotea petiolata Species Udoteaceae Eukaryota UNPD*
NPO17633 Viguiera incana Species Asteraceae Eukaryota UNPD*
NPO7760 Macrolepiota neomastoidea Species Agaricaceae Eukaryota UNPD*
NPO2507 Rumex maritimus Species Polygonaceae Eukaryota UNPD*
NPO24219 Erylus nobilis Species Geodiidae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[22411374]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[22308371]
NPO11747 Ocimum tenuiflorum Species Lamiaceae Eukaryota UNPD*
NPO1390 Melolontha melolontha Species Scarabaeidae Eukaryota UNPD*
NPO9087 Sarcococca vagans Species Buxaceae Eukaryota UNPD*
NPO24290 Claviceps microcephala Species Clavicipitaceae Eukaryota UNPD*
NPO6556 Garcinia intermedia Species Clusiaceae Eukaryota UNPD*
NPO22324 Erium villosum Species Pseudococcidae Eukaryota UNPD*
NPO19866 Arabidopsis thaliana Species Brassicaceae Eukaryota DOI[10.1021/ac991142i]
NPO8593 Zygosaccharomyces rouxii Species Saccharomycetaceae Eukaryota UNPD*
NPO5852 Litsea glutinosa Species Lauraceae Eukaryota UNPD*
NPO17942 Wikstroemia retusa Species Thymelaeaceae Eukaryota UNPD*
NPO5604 Chelonia japonica Species Cheloniidae Eukaryota UNPD*
NPO7562 Premna odorata Species Lamiaceae Eukaryota UNPD*
NPO28679 Prunus mume Species Rosaceae Eukaryota TCM_Taiwan*
NPO1070 Matricaria suffruticosa Species Asteraceae Eukaryota UNPD*
NPO23459 Onoseris alata Species Asteraceae Eukaryota UNPD*
NPO9221 Trachelospermum lucidum Species Apocynaceae Eukaryota UNPD*
NPO23884 Hippobroma longiflora Species Campanulaceae Eukaryota UNPD*
NPO16731 Phoebe pittieri Species Lauraceae Eukaryota UNPD*
NPO3743 Sideritis brevibracteata Species Lamiaceae Eukaryota UNPD*
NPO4325 Blastochloris viridis Species Hyphomicrobiaceae Bacteria UNPD*
NPO6320 Echinosophora koreensis Species Fabaceae Eukaryota UNPD*
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota UNPD*
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota UNPD*
NPO7449 Eleutherobia albiflora Species Alcyoniidae Eukaryota UNPD*
NPO23739 Staehelina fruticosa Species Asteraceae Eukaryota UNPD*
NPO23610 Aconitum tianschanicum Species Ranunculaceae Eukaryota UNPD*
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota UNPD*
NPO20637 Piper acutifolium Species Piperaceae Eukaryota UNPD*
NPO6457 Pinus strobus Species Pinaceae Eukaryota UNPD*
NPO25760 Aspergillus striatus Species Aspergillaceae Eukaryota UNPD*
NPO15467 Hedysarum connatum Species Fabaceae Eukaryota UNPD*
NPO16493 Nasutitermes ephratae Species Termitoidae Eukaryota UNPD*
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota UNPD*
NPO21724 Sabina sargentii NA NA NA UNPD*
NPO13847 Streptomyces avermitilis Species Streptomycetaceae Bacteria UNPD*
NPO7606 Salacia lehmbachii Species Celastraceae Eukaryota UNPD*
NPO2408 Millettia laurentii Species Fabaceae Eukaryota UNPD*
NPO11917 Asterospicularia laurae Species Xeniidae Eukaryota UNPD*
NPO23043 Cryptolestes pusillus Species Laemophloeidae Eukaryota UNPD*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota UNPD*
NPO23211 Xyris indica Species Xyridaceae Eukaryota UNPD*
NPO6881 Caragana aurantiaca Species Fabaceae Eukaryota UNPD*
NPO17737 Lepidorhinus squamosus NA NA NA UNPD*
NPO24090 Aplysilla rosea Species Darwinellidae Eukaryota UNPD*
NPO13438 Centaurea calcitrapa Species Asteraceae Eukaryota UNPD*
NPO23696 Solanum diflorum Species Solanaceae Eukaryota UNPD*
NPO8253 Alexandrium hiranoi Species Gonyaulacaceae Eukaryota UNPD*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota UNPD*
NPO3956 Maesa ramentacea Species Primulaceae Eukaryota UNPD*
NPO7028 Sida veronicaefolia Species Malvaceae Eukaryota UNPD*
NPO4523 Reaumuria hirtella Species Tamaricaceae Eukaryota UNPD*
NPO23920 Amanita pseudoporphyria Species Amanitaceae Eukaryota UNPD*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota UNPD*
NPO2999 Coprinellus flocculosus Species Psathyrellaceae Eukaryota UNPD*
NPO22455 Corydalis sewerzowi Species Papaveraceae Eukaryota UNPD*
NPO8642 Lithospermum officinale Species Boraginaceae Eukaryota UNPD*
NPO11641 Solanum laxum Species Solanaceae Eukaryota UNPD*
NPO3261 Aplysina archeri Species Aplysinidae Eukaryota UNPD*
NPO3554 Aonidiella aurantii Species Diaspididae Eukaryota UNPD*
NPO21827 Albatrellus caeruleoporus Species Albatrellaceae Eukaryota UNPD*
NPO24089 Alcea rosea Species Malvaceae Eukaryota UNPD*
NPO1771 Rose rugosae flos NA NA NA TCMSP*
NPO15552 Anacystis montana NA NA NA UNPD*
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT460 Cell Line MT2 Homo sapiens LD5 = 0.907 nM 9986720
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 ED50 > 1.823 nM 9986720
NPT12 Individual Protein Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 Inhibition = 18.7 % 9986720
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 18.4 % 3430163
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 21.9 % 3430163
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 21.2 % 3430163
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 15.5 % 3430163
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 18.1 % 3430163
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 17.4 % 3430163
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 17 % 3430163
NPT2 Others Unspecified IC50 > 500000 nM 15921434
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5623.4 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 18356.4 nM PubChem BioAssay data set
NPT78 Individual Protein Beta amyloid A4 protein Homo sapiens IC50 > 100000 nM 22921742
NPT78 Individual Protein Beta amyloid A4 protein Homo sapiens Inhibition = 100.3 % 22921742
NPT78 Individual Protein Beta amyloid A4 protein Homo sapiens Activity = 1.2 nM 22921742
NPT2 Others Unspecified Potency 6513.1 nM PubChem BioAssay data set
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 98.01 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 95.08 % 23571415
NPT2 Others Unspecified IC50 = 13000000 nM 26395057

  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 NPC57788 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 NPC53879
0.7188 Intermediate Similarity NPC277878
0.7077 Intermediate Similarity NPC196612
0.6962 Remote Similarity NPC478084
0.6923 Remote Similarity NPC244869
0.6923 Remote Similarity NPC476136
0.6923 Remote Similarity NPC300235
0.6923 Remote Similarity NPC476149
0.6912 Remote Similarity NPC220922
0.6883 Remote Similarity NPC125164
0.6813 Remote Similarity NPC253995
0.6716 Remote Similarity NPC6883
0.6706 Remote Similarity NPC262026
0.6706 Remote Similarity NPC475729
0.6706 Remote Similarity NPC474215
0.6667 Remote Similarity NPC293692
0.6667 Remote Similarity NPC259654
0.6667 Remote Similarity NPC298266
0.6628 Remote Similarity NPC470920
0.6625 Remote Similarity NPC83108
0.6625 Remote Similarity NPC214030
0.6625 Remote Similarity NPC474003
0.6588 Remote Similarity NPC476715
0.6571 Remote Similarity NPC182903
0.6567 Remote Similarity NPC323401
0.6567 Remote Similarity NPC19676
0.6552 Remote Similarity NPC476379
0.6552 Remote Similarity NPC476435
0.6548 Remote Similarity NPC15091
0.6548 Remote Similarity NPC227170
0.6543 Remote Similarity NPC470014
0.6533 Remote Similarity NPC286842
0.6479 Remote Similarity NPC323945
0.6477 Remote Similarity NPC477440
0.6477 Remote Similarity NPC477443
0.6471 Remote Similarity NPC291310
0.6452 Remote Similarity NPC211087
0.6438 Remote Similarity NPC317651
0.6438 Remote Similarity NPC258690
0.6438 Remote Similarity NPC235788
0.6437 Remote Similarity NPC239938
0.642 Remote Similarity NPC307865
0.641 Remote Similarity NPC96322
0.6404 Remote Similarity NPC477442
0.6404 Remote Similarity NPC477433
0.6404 Remote Similarity NPC477444
0.64 Remote Similarity NPC241949
0.6395 Remote Similarity NPC478111
0.6395 Remote Similarity NPC477445
0.6389 Remote Similarity NPC320296
0.6364 Remote Similarity NPC28526
0.6349 Remote Similarity NPC242655
0.6349 Remote Similarity NPC38891
0.6338 Remote Similarity NPC476209
0.6333 Remote Similarity NPC216137
0.6322 Remote Similarity NPC472272
0.6322 Remote Similarity NPC476717
0.6322 Remote Similarity NPC228593
0.6322 Remote Similarity NPC235196
0.6322 Remote Similarity NPC248216
0.6316 Remote Similarity NPC469925
0.631 Remote Similarity NPC328639
0.631 Remote Similarity NPC475743
0.631 Remote Similarity NPC211049
0.631 Remote Similarity NPC329490
0.631 Remote Similarity NPC67254
0.6308 Remote Similarity NPC247546
0.6308 Remote Similarity NPC172086
0.6301 Remote Similarity NPC10659
0.6301 Remote Similarity NPC469923
0.6296 Remote Similarity NPC474020
0.6292 Remote Similarity NPC24705
0.6292 Remote Similarity NPC56962
0.6282 Remote Similarity NPC321873
0.6279 Remote Similarity NPC79308
0.6279 Remote Similarity NPC136114
0.6279 Remote Similarity NPC475689
0.6277 Remote Similarity NPC472144
0.6263 Remote Similarity NPC289702
0.6263 Remote Similarity NPC208461
0.625 Remote Similarity NPC471254
0.625 Remote Similarity NPC317212
0.625 Remote Similarity NPC263802
0.625 Remote Similarity NPC475821
0.6237 Remote Similarity NPC235109
0.6237 Remote Similarity NPC477264
0.6235 Remote Similarity NPC121121
0.6222 Remote Similarity NPC472146
0.6222 Remote Similarity NPC185529
0.622 Remote Similarity NPC47844
0.622 Remote Similarity NPC141195
0.6216 Remote Similarity NPC474552
0.6212 Remote Similarity NPC293378
0.6207 Remote Similarity NPC473350
0.6207 Remote Similarity NPC477205
0.6207 Remote Similarity NPC131350
0.6196 Remote Similarity NPC247877
0.6196 Remote Similarity NPC309127
0.618 Remote Similarity NPC236459
0.618 Remote Similarity NPC471221
0.618 Remote Similarity NPC191221
0.617 Remote Similarity NPC472145
0.6164 Remote Similarity NPC469921
0.6154 Remote Similarity NPC474065
0.6154 Remote Similarity NPC475062
0.6145 Remote Similarity NPC475725
0.6145 Remote Similarity NPC191345
0.6145 Remote Similarity NPC252483
0.6136 Remote Similarity NPC476726
0.6136 Remote Similarity NPC476727
0.6133 Remote Similarity NPC94897
0.6129 Remote Similarity NPC62407
0.6129 Remote Similarity NPC82633
0.6129 Remote Similarity NPC287354
0.6125 Remote Similarity NPC475232
0.6125 Remote Similarity NPC473699
0.6125 Remote Similarity NPC475260
0.6125 Remote Similarity NPC474100
0.6125 Remote Similarity NPC473775
0.6125 Remote Similarity NPC51249
0.6118 Remote Similarity NPC119922
0.6118 Remote Similarity NPC476071
0.6118 Remote Similarity NPC116320
0.6118 Remote Similarity NPC470156
0.6104 Remote Similarity NPC32148
0.6092 Remote Similarity NPC477434
0.6087 Remote Similarity NPC65985
0.6064 Remote Similarity NPC163685
0.6064 Remote Similarity NPC475785
0.6056 Remote Similarity NPC198377
0.6053 Remote Similarity NPC476330
0.6049 Remote Similarity NPC215030
0.6047 Remote Similarity NPC470155
0.6047 Remote Similarity NPC477446
0.6047 Remote Similarity NPC477447
0.6044 Remote Similarity NPC470114
0.6044 Remote Similarity NPC65359
0.6027 Remote Similarity NPC470363
0.6026 Remote Similarity NPC82315
0.6023 Remote Similarity NPC51267
0.6022 Remote Similarity NPC76136
0.6022 Remote Similarity NPC217567
0.6022 Remote Similarity NPC478089
0.6022 Remote Similarity NPC470424
0.6022 Remote Similarity NPC329713
0.602 Remote Similarity NPC471253
0.6 Remote Similarity NPC125366
0.6 Remote Similarity NPC325773
0.6 Remote Similarity NPC111348
0.6 Remote Similarity NPC74466
0.6 Remote Similarity NPC471241
0.6 Remote Similarity NPC134227
0.6 Remote Similarity NPC470632
0.598 Remote Similarity NPC100908
0.5979 Remote Similarity NPC305085
0.5979 Remote Similarity NPC84042
0.5978 Remote Similarity NPC469627
0.5978 Remote Similarity NPC329952
0.5976 Remote Similarity NPC217725
0.5972 Remote Similarity NPC61567
0.5968 Remote Similarity NPC102981
0.5968 Remote Similarity NPC88278
0.5968 Remote Similarity NPC227707
0.5968 Remote Similarity NPC111882
0.5968 Remote Similarity NPC99573
0.5957 Remote Similarity NPC322188
0.5957 Remote Similarity NPC17336
0.5955 Remote Similarity NPC83242
0.5955 Remote Similarity NPC470657
0.5955 Remote Similarity NPC477441
0.5955 Remote Similarity NPC302111
0.5955 Remote Similarity NPC120395
0.5952 Remote Similarity NPC475616
0.5952 Remote Similarity NPC43463
0.5949 Remote Similarity NPC98711
0.5938 Remote Similarity NPC474724
0.5938 Remote Similarity NPC319680
0.593 Remote Similarity NPC254123
0.593 Remote Similarity NPC470154
0.5922 Remote Similarity NPC157476
0.5922 Remote Similarity NPC171888
0.5922 Remote Similarity NPC146945
0.5915 Remote Similarity NPC68743
0.5915 Remote Similarity NPC60830
0.5914 Remote Similarity NPC472147
0.5914 Remote Similarity NPC147272
0.5914 Remote Similarity NPC472148
0.5909 Remote Similarity NPC473299
0.5909 Remote Similarity NPC50438
0.5909 Remote Similarity NPC115995
0.5904 Remote Similarity NPC136424
0.5897 Remote Similarity NPC179823
0.5895 Remote Similarity NPC256227
0.5895 Remote Similarity NPC160066
0.5895 Remote Similarity NPC21302
0.5895 Remote Similarity NPC475765
0.5895 Remote Similarity NPC116683
0.5895 Remote Similarity NPC11396
0.589 Remote Similarity NPC179624
0.5889 Remote Similarity NPC31349

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC57788 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
0.7538 Intermediate Similarity NPD73 Approved
0.7188 Intermediate Similarity NPD9010 Approved
0.7188 Intermediate Similarity NPD66 Approved
0.7188 Intermediate Similarity NPD9011 Approved
0.7188 Intermediate Similarity NPD9009 Approved
0.7188 Intermediate Similarity NPD8960 Approved
0.7188 Intermediate Similarity NPD9008 Approved
0.7188 Intermediate Similarity NPD9007 Approved
0.7188 Intermediate Similarity NPD64 Approved
0.7188 Intermediate Similarity NPD65 Approved
0.7188 Intermediate Similarity NPD72 Approved
0.6912 Remote Similarity NPD8959 Approved
0.6515 Remote Similarity NPD9001 Clinical (unspecified phase)
0.6515 Remote Similarity NPD9002 Approved
0.6438 Remote Similarity NPD8961 Approved
0.6351 Remote Similarity NPD7909 Approved
0.6316 Remote Similarity NPD1700 Approved
0.6308 Remote Similarity NPD9005 Phase 3
0.6308 Remote Similarity NPD9003 Clinical (unspecified phase)
0.6308 Remote Similarity NPD9004 Approved
0.6282 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6263 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6212 Remote Similarity NPD71 Approved
0.6212 Remote Similarity NPD9126 Approved
0.6212 Remote Similarity NPD9129 Approved
0.6104 Remote Similarity NPD896 Approved
0.6104 Remote Similarity NPD897 Approved
0.6104 Remote Similarity NPD898 Approved
0.6061 Remote Similarity NPD70 Approved
0.6061 Remote Similarity NPD109 Approved
0.6061 Remote Similarity NPD9121 Approved
0.6061 Remote Similarity NPD9123 Approved
0.6061 Remote Similarity NPD9124 Approved
0.6061 Remote Similarity NPD9125 Approved
0.6061 Remote Similarity NPD9122 Approved
0.6061 Remote Similarity NPD9127 Approved
0.6061 Remote Similarity NPD9130 Phase 3
0.6061 Remote Similarity NPD9128 Approved
0.6061 Remote Similarity NPD108 Approved
0.5968 Remote Similarity NPD8995 Clinical (unspecified phase)
0.5968 Remote Similarity NPD8996 Phase 3
0.5921 Remote Similarity NPD371 Approved
0.5775 Remote Similarity NPD615 Clinical (unspecified phase)
0.5775 Remote Similarity NPD3728 Approved
0.5775 Remote Similarity NPD3730 Approved
0.5775 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5765 Remote Similarity NPD6115 Approved
0.5765 Remote Similarity NPD6118 Approved
0.5765 Remote Similarity NPD6114 Approved
0.5765 Remote Similarity NPD6697 Approved
0.5735 Remote Similarity NPD8964 Approved
0.5647 Remote Similarity NPD6116 Phase 1
0.5606 Remote Similarity NPD9219 Approved
0.5606 Remote Similarity NPD9218 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL465398
ZINC  

Physicochemical Properties

Molecular Weight:  192.06
ALogP:  -2.0059
MLogP:  1.57
XLogP:  -1.979
# Rotatable Bonds:  6
Polar Surface Area:  118.22
# H-Bond Aceptor:  6
# H-Bond Donor:  5
# Rings:  1
# Heavy Atoms:  13

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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