Natural Product: NPC14030

Natural Product ID:  NPC14030
Common Name:   Corilagin
IUPAC Name:  
Synonyms:   Corilagin
Molecular Formula:   C27H22O18
Standard InCHIKey:  TUSDEZXZIZRFGC-XIGLUPEJSA-N
Standard InCHI:  InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1
Canonical SMILES:  O[C@@H]1[C@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]1[C@H]([C@@H](O2)OC(=O)c1cc(O)c(c(c1)O)O)O)cc(O)c(c3O)O)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
NPO22608 Excoecaria agallocha Species Euphorbiaceae Eukaryota stems and twigs Beihai, Guangxi province, China 2008-JAN PMID[22196120]
NPO1933 Sideritis nutans Species Lamiaceae Eukaryota UNPD*
NPO22568 Aristolochia elegans Species Aristolochiaceae Eukaryota UNPD*
NPO20209 Dorstenia lindeniana Species Moraceae Eukaryota UNPD*
NPO2798 Geranium thunbergii Species Geraniaceae Eukaryota TM-MC*
NPO14089 Hypericum ascyron Species Hypericaceae Eukaryota UNPD*
NPO7690 Nyssa sinensis Species Nyssaceae Eukaryota UNPD*
NPO12754 Cerinthe minor Species Boraginaceae Eukaryota UNPD*
NPO21603 Eskemukerjea megacarpum NA NA NA UNPD*
NPO15687 Geranium wilfordii Species Geraniaceae Eukaryota TM-MC*
NPO8848 Colubrina elliptica Species Rhamnaceae Eukaryota UNPD*
NPO7752 Beilschmiedia anacardioides Species Lauraceae Eukaryota UNPD*
NPO14504 Alectoria divergens Species Parmeliaceae Eukaryota UNPD*
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota TM-MC*
NPO14615 Streptomyces paulus Species Streptomycetaceae Bacteria UNPD*
NPO12061 Justicia paniculata Species Acanthaceae Eukaryota UNPD*
NPO642 Artemisia bigelovii Species Asteraceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota TM-MC*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota UNPD*
NPO22121 Piper arboreum Species Piperaceae Eukaryota UNPD*
NPO2922 Botryosphaeria berengeriana Species Botryosphaeriaceae Eukaryota UNPD*
NPO22244 Terminalia bellirica Species Combretaceae Eukaryota TM-MC*
NPO12910 Ixeris stolonifera Species Asteraceae Eukaryota UNPD*
NPO6395 Phedimus kamtschaticus Species Crassulaceae Eukaryota UNPD*
NPO21498 Coccus ilicis Species Coccidae Eukaryota UNPD*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota TM-MC*
NPO21349 Punica granatum Species Lythraceae Eukaryota UNPD*
NPO12585 Craspidospermum verticillatum Species Apocynaceae Eukaryota UNPD*
NPO11429 Matricaria parthenium Species Asteraceae Eukaryota UNPD*
NPO3084 Xylopia brasiliensis Species Annonaceae Eukaryota UNPD*
NPO22447 Sidastrum acuminatum Species Malvaceae Eukaryota UNPD*
NPO23010 Crinum defixum Species Amaryllidaceae Eukaryota UNPD*
NPO12475 Syneilesis palmata Species Asteraceae Eukaryota UNPD*
NPO15984 Blainvillea rhomboidea Species Asteraceae Eukaryota UNPD*
NPO20096 Cirsium japonicum Species Asteraceae Eukaryota UNPD*
NPO13355 Selinum carvifolium Species Apiaceae Eukaryota UNPD*
NPO21227 Aglaia elaeagnoidea Species Meliaceae Eukaryota UNPD*
NPO5868 Morus rubra Species Moraceae Eukaryota UNPD*
NPO22509 Syncolostemon parviflorus Species Lamiaceae Eukaryota UNPD*
NPO13938 Plantago alpina Species Plantaginaceae Eukaryota UNPD*
NPO28912 Astragalus gummifer Species Fabaceae Eukaryota UNPD*
NPO16775 Thermopsis lanceolata Species Fabaceae Eukaryota UNPD*
NPO1496 Stevia porphyrea Species Asteraceae Eukaryota UNPD*
NPO12234 Khaya ivorensis Species Meliaceae Eukaryota UNPD*
NPO16414 Thuja plicata Species Cupressaceae Eukaryota UNPD*
NPO11633 Kelletia kelletii Species Buccinidae Eukaryota UNPD*
NPO13047 Epipolasis kushimotoensis Species Axinellidae Eukaryota UNPD*
NPO21282 Aplidium orthium Species Polyclinidae Eukaryota UNPD*
NPO2461 Perilla acuta Species Araneidae Eukaryota UNPD*
NPO20972 Oscillatoria princeps Species Oscillatoriaceae Bacteria UNPD*
NPO20146 Cladiella krempfi Species Alcyoniidae Eukaryota UNPD*
NPO23953 Zanthoxylum monophyllum Species Rutaceae Eukaryota UNPD*
NPO14435 Mnium hornum Species Mniaceae Eukaryota UNPD*
NPO21991 Modiolus demissus Species Mytilidae Eukaryota UNPD*
NPO16207 Acacia glaucescens Species Fabaceae Eukaryota UNPD*
NPO13701 Melaleuca rhaphiophylla Species Myrtaceae Eukaryota UNPD*
NPO13907 Senecio renardii Species Asteraceae Eukaryota UNPD*
NPO22635 Penstemon secundiflorus Species Plantaginaceae Eukaryota UNPD*
NPO14289 Pieris napi Species Pieridae Eukaryota UNPD*
NPO10396 Pteris australis Species Pteridaceae Eukaryota UNPD*
NPO3199 Balanophora involucrata Species Balanophoraceae Eukaryota UNPD*
NPO11882 Cedrus libani Species Pinaceae Eukaryota UNPD*
NPO10884 Glycyrrhiza squamulosa Species Fabaceae Eukaryota UNPD*
NPO15300 Bipolaris zeicola Species Pleosporaceae Eukaryota UNPD*
NPO22763 Cuphea carthagenensis Species Lythraceae Eukaryota UNPD*
NPO7169 Nama hispidum Species Namaceae Eukaryota UNPD*
NPO10012 Triaenophora rupestris Species Orobanchaceae Eukaryota UNPD*
NPO20332 Dioscoreophyllum cumminsii Species Menispermaceae Eukaryota UNPD*
NPO4676 Melicope sarcococca Species Rutaceae Eukaryota UNPD*
NPO2130 Ehretia dicksonii Species Ehretiaceae Eukaryota UNPD*
NPO16102 Senecio chinensis Species Asteraceae Eukaryota UNPD*
NPO9757 Cladonia macilenta Species Cladoniaceae Eukaryota UNPD*
NPO12765 Micromonospora inositola Species Micromonosporaceae Bacteria UNPD*
NPO12088 Conyza canadensis Species Asteraceae Eukaryota UNPD*
NPO12414 Penicillium paxilli Species Aspergillaceae Eukaryota UNPD*
NPO12069 Isaria felina Species Cordycipitaceae Eukaryota UNPD*
NPO22381 Euphorbia segetalis Species Euphorbiaceae Eukaryota UNPD*
NPO20842 Beauveria felina Species Cordycipitaceae Eukaryota UNPD*
NPO13076 Cephalaria grossheimii Species Caprifoliaceae Eukaryota UNPD*
NPO8313 Rhipocephalus phoenix Species Udoteaceae Eukaryota UNPD*
NPO5258 Fagara zanthoxyloides NA NA NA UNPD*
NPO1661 Bartramia pomiformis Species Bartramiaceae Eukaryota UNPD*
NPO10389 Larix cajanderi Species Pinaceae Eukaryota UNPD*
NPO21473 Urtica triangularis Species Urticaceae Eukaryota UNPD*
NPO7862 Faramea cyanea Species Rubiaceae Eukaryota UNPD*
NPO13504 Lotus japonicus Species Fabaceae Eukaryota UNPD*
NPO2780 Brenneria rubrifaciens Species Pectobacteriaceae Bacteria UNPD*
NPO358 Uncaria guianensis Species Rubiaceae Eukaryota UNPD*
NPO21859 Centaurea nigrescens Species Asteraceae Eukaryota UNPD*
NPO20779 Garcinia hombroniana Species Clusiaceae Eukaryota UNPD*
NPO16699 Agave utahensis Species Asparagaceae Eukaryota UNPD*
NPO6179 Aframomum amaniense Species Zingiberaceae Eukaryota UNPD*
NPO8606 Mallotus repandus Species Euphorbiaceae Eukaryota UNPD*
NPO22315 Phlogacanthus thyrsiflorus Species Acanthaceae Eukaryota UNPD*
NPO3619 Ilex hainanensis Species Aquifoliaceae Eukaryota UNPD*
NPO22829 Ozoroa insignis Species Anacardiaceae Eukaryota UNPD*
NPO5731 Euphorbia humifusa Species Euphorbiaceae Eukaryota UNPD*
NPO22250 Parastrephia lepidophylla Species Asteraceae Eukaryota UNPD*
NPO995 Uncaria donisii Species Rubiaceae Eukaryota UNPD*
NPO7292 Excoecaria kawakamii Species Euphorbiaceae Eukaryota UNPD*
NPO10810 Acridocarpus vivy Species Malpighiaceae Eukaryota UNPD*
NPO25774 Virola multinervia Species Myristicaceae Eukaryota UNPD*
NPO6469 Clematis angustifolia Species Ranunculaceae Eukaryota UNPD*
NPO21096 Cardiospermum halicacabum Species Sapindaceae Eukaryota UNPD*
NPO20652 Phytolacca acinosa Species Phytolaccaceae Eukaryota UNPD*
NPO21420 Phormia regina Species Calliphoridae Eukaryota UNPD*
NPO816 Stenomesson miniatum Species Amaryllidaceae Eukaryota UNPD*
NPO11453 Centaurea cadmea Species Asteraceae Eukaryota UNPD*
NPO7523 Geranium wilfordii maxim Species Geraniaceae Eukaryota TCMSP*
NPO14200 Aristolochia zollingeriana Species Aristolochiaceae Eukaryota UNPD*
NPO12218 Pulicaria wightiana Species Asteraceae Eukaryota UNPD*
NPO21730 Pouzolzia occidentalis Species Urticaceae Eukaryota UNPD*
NPO12362 Coreopsis fasciculata Species Asteraceae Eukaryota UNPD*
NPO3811 Granati pericarpium NA NA NA TCMSP*
NPO21322 Plinia cauliflora Species Myrtaceae Eukaryota UNPD*
NPO29669 Phyllanthi fructus NA NA NA TCMSP*
NPO22052 Aspergillus candidus Species Aspergillaceae Eukaryota UNPD*
NPO4307 Canarium album Species Burseraceae Eukaryota UNPD*
NPO27015 Valeriana hardwickii Species Caprifoliaceae Eukaryota UNPD*
NPO20511 Chebulae fructus NA NA NA TCMSP*
NPO26880 Mallotus japonicus Species Euphorbiaceae Eukaryota PMID[11520216]
NPO22893 Apterostigma dentigerum Species Formicidae Eukaryota UNPD*
NPO9669 Dictyopteris acrostichoides Species Dictyotaceae Eukaryota UNPD*
NPO13318 Euphorbiae helioscopiae herba NA NA NA TCMSP*
NPO29801 Mallotus philippinensis Species Salangidae Eukaryota PMID[11520216]
NPO19899 Crepis foetida Species Asteraceae Eukaryota UNPD*
NPO3458 Lupinus verbasciformis Species Fabaceae Eukaryota UNPD*
NPO11357 Nephelium lappaceum Species Sapindaceae Eukaryota UNPD*
NPO24896 Dinophysis acuminata Species Dinophysiaceae Eukaryota UNPD*
NPO4754 Yucca flexilis Species Asparagaceae Eukaryota UNPD*
NPO4124 Dimocarpus longan Species Sapindaceae Eukaryota TM-MC*
NPO27007 Cunonia macrophylla Species Cunoniaceae Eukaryota New Caledonia PMID[15652581]
NPO10865 Sextonia rubra Species Lauraceae Eukaryota UNPD*
NPO7720 Cyathocline purpurea Species Asteraceae Eukaryota UNPD*
NPO18313 Erodium stephanianum Species Geraniaceae Eukaryota TM-MC*
NPO22976 Ruta microcarpa Species Rutaceae Eukaryota UNPD*
NPO29466 Triglochin maritima Species Juncaginaceae Eukaryota UNPD*
NPO12378 Streptomyces blastmyceticus Species Streptomycetaceae Bacteria UNPD*
NPO16698 Geranium carolinianum Species Geraniaceae Eukaryota TM-MC*
NPO25715 Senna siamea Species Fabaceae Eukaryota UNPD*
NPO12393 Xanthoparmelia subincerta Species Parmeliaceae Eukaryota UNPD*
NPO6774 Khaya senegalensis Species Meliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 = 15000 nM 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 15000 nM 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Therapeutic index = 1 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition = 90 % 10.1016/S0960-894X(00)80422-9
NPT459 Individual Protein Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 Inhibition = 57 % 10.1016/S0960-894X(00)80422-9
NPT316 Protein Family Protein kinase C (PKC) Homo sapiens IC50 = 20000 nM 10.1016/S0960-894X(01)81072-6
NPT1284 Protein Family Protein kinase C (PKC) Rattus norvegicus IC50 = 20000 nM 8289196
NPT1166 Individual Protein Angiotensin-converting enzyme Homo sapiens IC50 = 3700000 nM 3379417
NPT326 Individual Protein Squalene monooxygenase Rattus norvegicus IC50 = 4000 nM 11520216
NPT672 Cell Line TE-671 Homo sapiens ED50 > 10 ug/ml 1431932
NPT180 Cell Line HCT-8 Homo sapiens ED50 > 10 ug/ml 1431932
NPT81 Cell Line A549 Homo sapiens ED50 > 10 ug/ml 1431932
NPT91 Cell Line KB Homo sapiens ED50 > 10 ug/ml 1431932
NPT2 Others Unspecified ED50 > 10 ug/ml 1431932
NPT143 Individual Protein DNA topoisomerase I Homo sapiens IC50 = 40000 nM 1324981
NPT2 Others Unspecified Activity = 92 % 2413172
NPT2 Others Unspecified Activity = 3 % 2413172
NPT2 Others Unspecified Activity = 25 % 2413172
NPT2 Others Unspecified Activity = 88 % 2413172
NPT2 Others Unspecified Activity = 72 % 2413172
NPT2 Others Unspecified Activity = 64 % 2413172
NPT2 Others Unspecified Activity = 30 % 2413172
NPT2 Others Unspecified Activity = 0 % 2413172
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 6.7 mg/kg 10.1021/np50094a030
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 6.5 mg/kg 10.1021/np50094a030
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -52.6 mmHg 10.1021/np50094a030
NPT2 Others Unspecified Ratio CC50/EC50 = 7.1 22196120
NPT2 Others Unspecified CC50 = 96650 nM 22196120
NPT191 Organism Hepatitis C virus Hepatitis C virus EC50 = 13590 nM 22196120
NPT2 Others Unspecified IC50 = 3450 nM 22196120
NPT2 Others Unspecified IC50 > 100000 nM 15652581
NPT20 Organism Candida albicans Candida albicans IZ = 12 mm 15652581
NPT1285 Organism Corynebacterium accolens Corynebacterium accolens IZ = 12 mm 15652581
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 12 mm 15652581
NPT1286 Organism Pectobacterium carotovorum Pectobacterium carotovorum IZ = 20 mm 15652581
NPT862 Individual Protein Epoxide hydratase Homo sapiens Inhibition > 40 % 24679441
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 25100 nM 24679441
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 38500 nM 24679441

  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 NPC14030 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 NPC291957
0.9935 High Similarity NPC470898
0.9745 High Similarity NPC470271
0.9745 High Similarity NPC311389
0.9682 High Similarity NPC175793
0.9623 High Similarity NPC470272
0.962 High Similarity NPC43918
0.962 High Similarity NPC261411
0.962 High Similarity NPC190204
0.95 High Similarity NPC47521
0.9497 High Similarity NPC31034
0.9484 High Similarity NPC135222
0.9484 High Similarity NPC474010
0.9477 High Similarity NPC44260
0.9477 High Similarity NPC205037
0.9477 High Similarity NPC16024
0.9477 High Similarity NPC3746
0.9477 High Similarity NPC61152
0.9387 High Similarity NPC297574
0.9387 High Similarity NPC472723
0.9273 High Similarity NPC80956
0.9236 High Similarity NPC238419
0.9236 High Similarity NPC172419
0.9221 High Similarity NPC140151
0.9216 High Similarity NPC92117
0.9172 High Similarity NPC247629
0.9172 High Similarity NPC239019
0.9157 High Similarity NPC198902
0.915 High Similarity NPC120621
0.915 High Similarity NPC248257
0.915 High Similarity NPC142528
0.9136 High Similarity NPC217781
0.913 High Similarity NPC162169
0.913 High Similarity NPC166851
0.9107 High Similarity NPC231254
0.9102 High Similarity NPC53680
0.9102 High Similarity NPC8940
0.9102 High Similarity NPC208797
0.9091 High Similarity NPC171706
0.9074 High Similarity NPC26536
0.9074 High Similarity NPC317671
0.9074 High Similarity NPC49983
0.9074 High Similarity NPC142707
0.9057 High Similarity NPC210501
0.9057 High Similarity NPC114791
0.9057 High Similarity NPC141331
0.9057 High Similarity NPC318826
0.9057 High Similarity NPC104222
0.9053 High Similarity NPC111490
0.9053 High Similarity NPC261623
0.9036 High Similarity NPC67629
0.9036 High Similarity NPC79736
0.903 High Similarity NPC166674
0.903 High Similarity NPC263119
0.903 High Similarity NPC46640
0.903 High Similarity NPC34436
0.903 High Similarity NPC219600
0.903 High Similarity NPC473550
0.9024 High Similarity NPC181778
0.9 High Similarity NPC24627
0.9 High Similarity NPC289346
0.9 High Similarity NPC65489
0.8994 High Similarity NPC257309
0.8987 High Similarity NPC203757
0.8982 High Similarity NPC267549
0.8961 High Similarity NPC268366
0.8954 High Similarity NPC108455
0.8951 High Similarity NPC469651
0.8951 High Similarity NPC121290
0.8947 High Similarity NPC173872
0.8947 High Similarity NPC119094
0.8941 High Similarity NPC469650
0.8935 High Similarity NPC123259
0.8935 High Similarity NPC129533
0.8931 High Similarity NPC104983
0.8931 High Similarity NPC300845
0.8931 High Similarity NPC291948
0.8931 High Similarity NPC88803
0.8931 High Similarity NPC250436
0.8922 High Similarity NPC473713
0.8909 High Similarity NPC149011
0.8909 High Similarity NPC204937
0.8895 High Similarity NPC472724
0.8895 High Similarity NPC160543
0.8895 High Similarity NPC31208
0.8895 High Similarity NPC472720
0.8895 High Similarity NPC93065
0.8895 High Similarity NPC469652
0.8895 High Similarity NPC472721
0.8889 High Similarity NPC33298
0.8889 High Similarity NPC22176
0.8889 High Similarity NPC285108
0.8889 High Similarity NPC190587
0.8889 High Similarity NPC121573
0.8889 High Similarity NPC260521
0.8889 High Similarity NPC469649
0.8889 High Similarity NPC229036
0.8889 High Similarity NPC90905
0.8889 High Similarity NPC226738
0.8889 High Similarity NPC4013
0.8882 High Similarity NPC24164
0.8876 High Similarity NPC170203
0.8875 High Similarity NPC68324
0.8875 High Similarity NPC156818
0.8875 High Similarity NPC472860
0.8875 High Similarity NPC114179
0.8875 High Similarity NPC160512
0.8875 High Similarity NPC289322
0.8875 High Similarity NPC38779
0.8868 High Similarity NPC172920
0.8868 High Similarity NPC156624
0.8868 High Similarity NPC472835
0.8855 High Similarity NPC67134
0.8855 High Similarity NPC47140
0.8846 High Similarity NPC75945
0.8844 High Similarity NPC264302
0.8837 High Similarity NPC290289
0.8837 High Similarity NPC269046
0.8837 High Similarity NPC477081
0.8837 High Similarity NPC158214
0.8837 High Similarity NPC7839
0.8837 High Similarity NPC223534
0.8837 High Similarity NPC477083
0.8837 High Similarity NPC142291
0.8837 High Similarity NPC240200
0.882 High Similarity NPC87317
0.8812 High Similarity NPC318432
0.8802 High Similarity NPC175230
0.8802 High Similarity NPC88560
0.8802 High Similarity NPC172033
0.8788 High Similarity NPC473818
0.8788 High Similarity NPC311912
0.8786 High Similarity NPC187632
0.8786 High Similarity NPC201814
0.8782 High Similarity NPC81835
0.8779 High Similarity NPC237202
0.8779 High Similarity NPC105591
0.8774 High Similarity NPC474465
0.8765 High Similarity NPC53889
0.8765 High Similarity NPC239966
0.8765 High Similarity NPC203020
0.8758 High Similarity NPC104275
0.8758 High Similarity NPC4747
0.8758 High Similarity NPC1913
0.8757 High Similarity NPC267680
0.8757 High Similarity NPC476620
0.8757 High Similarity NPC293626
0.8757 High Similarity NPC113836
0.8757 High Similarity NPC476621
0.8757 High Similarity NPC476622
0.8757 High Similarity NPC217387
0.8757 High Similarity NPC476623
0.8757 High Similarity NPC37668
0.8757 High Similarity NPC253521
0.8757 High Similarity NPC476618
0.8757 High Similarity NPC196127
0.8757 High Similarity NPC258044
0.8757 High Similarity NPC476619
0.8757 High Similarity NPC469418
0.8757 High Similarity NPC260300
0.8743 High Similarity NPC38438
0.8743 High Similarity NPC476358
0.8736 High Similarity NPC97924
0.8736 High Similarity NPC40078
0.8736 High Similarity NPC471091
0.8735 High Similarity NPC95421
0.8735 High Similarity NPC198125
0.8735 High Similarity NPC197708
0.8735 High Similarity NPC88557
0.8735 High Similarity NPC658
0.8734 High Similarity NPC252979
0.8706 High Similarity NPC195114
0.8706 High Similarity NPC212290
0.8704 High Similarity NPC160780
0.8704 High Similarity NPC289811
0.8704 High Similarity NPC287872
0.8704 High Similarity NPC74319
0.8698 High Similarity NPC472991
0.8698 High Similarity NPC472992
0.8698 High Similarity NPC61904
0.8698 High Similarity NPC144097
0.869 High Similarity NPC472993
0.8688 High Similarity NPC116850
0.8688 High Similarity NPC197188
0.8688 High Similarity NPC291510
0.8688 High Similarity NPC238672
0.8688 High Similarity NPC43872
0.8688 High Similarity NPC125487
0.8688 High Similarity NPC281703
0.8688 High Similarity NPC144801
0.8675 High Similarity NPC116745
0.8675 High Similarity NPC298847
0.8675 High Similarity NPC45400
0.8667 High Similarity NPC471788
0.8667 High Similarity NPC165720
0.8662 High Similarity NPC476463
0.8662 High Similarity NPC43123
0.8655 High Similarity NPC469371
0.865 High Similarity NPC474770
0.865 High Similarity NPC119125

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC14030 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
0.8931 High Similarity NPD4868 Clinical (unspecified phase)
0.8521 High Similarity NPD7993 Clinical (unspecified phase)
0.8457 Intermediate Similarity NPD1465 Phase 2
0.8452 Intermediate Similarity NPD3818 Discontinued
0.8421 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8402 Intermediate Similarity NPD5844 Phase 1
0.8353 Intermediate Similarity NPD7074 Phase 3
0.8353 Intermediate Similarity NPD7472 Approved
0.8343 Intermediate Similarity NPD7228 Approved
0.8304 Intermediate Similarity NPD6797 Phase 2
0.8303 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8294 Intermediate Similarity NPD7054 Approved
0.8256 Intermediate Similarity NPD7251 Discontinued
0.8253 Intermediate Similarity NPD6234 Discontinued
0.8214 Intermediate Similarity NPD6232 Discontinued
0.8171 Intermediate Similarity NPD37 Approved
0.8133 Intermediate Similarity NPD4967 Phase 2
0.8133 Intermediate Similarity NPD4966 Approved
0.8133 Intermediate Similarity NPD4965 Approved
0.8118 Intermediate Similarity NPD6166 Phase 2
0.8118 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8118 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8117 Intermediate Similarity NPD230 Phase 1
0.8113 Intermediate Similarity NPD6190 Approved
0.8103 Intermediate Similarity NPD7808 Phase 3
0.8089 Intermediate Similarity NPD7266 Discontinued
0.807 Intermediate Similarity NPD7473 Discontinued
0.8047 Intermediate Similarity NPD7199 Phase 2
0.7979 Intermediate Similarity NPD8151 Discontinued
0.7975 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7955 Intermediate Similarity NPD8312 Approved
0.7955 Intermediate Similarity NPD8313 Approved
0.7952 Intermediate Similarity NPD1934 Approved
0.7944 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD7685 Pre-registration
0.7943 Intermediate Similarity NPD6559 Discontinued
0.7943 Intermediate Similarity NPD7240 Approved
0.7939 Intermediate Similarity NPD4380 Phase 2
0.7933 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7904 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7865 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7849 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD1653 Approved
0.7798 Intermediate Similarity NPD8455 Phase 2
0.7771 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD6959 Discontinued
0.7714 Intermediate Similarity NPD3751 Discontinued
0.7692 Intermediate Similarity NPD2801 Approved
0.7692 Intermediate Similarity NPD7819 Suspended
0.7683 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD3749 Approved
0.7661 Intermediate Similarity NPD7075 Discontinued
0.7647 Intermediate Similarity NPD3817 Phase 2
0.7607 Intermediate Similarity NPD3750 Approved
0.7602 Intermediate Similarity NPD3882 Suspended
0.7595 Intermediate Similarity NPD943 Approved
0.7586 Intermediate Similarity NPD3787 Discontinued
0.758 Intermediate Similarity NPD3764 Approved
0.7576 Intermediate Similarity NPD1511 Approved
0.7574 Intermediate Similarity NPD7411 Suspended
0.7568 Intermediate Similarity NPD6534 Approved
0.7568 Intermediate Similarity NPD6535 Approved
0.7544 Intermediate Similarity NPD5402 Approved
0.753 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD8150 Discontinued
0.7526 Intermediate Similarity NPD7435 Discontinued
0.7516 Intermediate Similarity NPD9269 Phase 2
0.75 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD8320 Phase 1
0.7487 Intermediate Similarity NPD8319 Approved
0.7485 Intermediate Similarity NPD1512 Approved
0.7485 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD5494 Approved
0.747 Intermediate Similarity NPD7390 Discontinued
0.746 Intermediate Similarity NPD6780 Approved
0.746 Intermediate Similarity NPD6779 Approved
0.746 Intermediate Similarity NPD6782 Approved
0.746 Intermediate Similarity NPD6776 Approved
0.746 Intermediate Similarity NPD6781 Approved
0.746 Intermediate Similarity NPD6778 Approved
0.746 Intermediate Similarity NPD6777 Approved
0.7456 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD7699 Phase 2
0.7447 Intermediate Similarity NPD7700 Phase 2
0.7442 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD7783 Phase 2
0.7435 Intermediate Similarity NPD7680 Approved
0.7427 Intermediate Similarity NPD6801 Discontinued
0.7425 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD2532 Approved
0.7425 Intermediate Similarity NPD2534 Approved
0.7425 Intermediate Similarity NPD2533 Approved
0.7407 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD7768 Phase 2
0.7394 Intermediate Similarity NPD4628 Phase 3
0.7378 Intermediate Similarity NPD1549 Phase 2
0.7375 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD1613 Approved
0.7362 Intermediate Similarity NPD5408 Approved
0.7362 Intermediate Similarity NPD5404 Approved
0.7362 Intermediate Similarity NPD5405 Approved
0.7362 Intermediate Similarity NPD5406 Approved
0.7337 Intermediate Similarity NPD5403 Approved
0.7326 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD6212 Phase 3
0.7326 Intermediate Similarity NPD6213 Phase 3
0.7317 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD7871 Phase 2
0.7306 Intermediate Similarity NPD7870 Phase 2
0.7301 Intermediate Similarity NPD1510 Phase 2
0.7301 Intermediate Similarity NPD3748 Approved
0.7301 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD7874 Approved
0.7296 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD6799 Approved
0.7255 Intermediate Similarity NPD9268 Approved
0.7254 Intermediate Similarity NPD7698 Approved
0.7254 Intermediate Similarity NPD7696 Phase 3
0.7254 Intermediate Similarity NPD7697 Approved
0.7251 Intermediate Similarity NPD7458 Discontinued
0.7229 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD5401 Approved
0.7219 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD6599 Discontinued
0.7202 Intermediate Similarity NPD6823 Phase 2
0.7194 Intermediate Similarity NPD7701 Phase 2
0.7188 Intermediate Similarity NPD3027 Phase 3
0.7186 Intermediate Similarity NPD8166 Discontinued
0.7186 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD6674 Discontinued
0.7125 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD7229 Phase 3
0.7085 Intermediate Similarity NPD7801 Approved
0.7056 Intermediate Similarity NPD5242 Approved
0.7056 Intermediate Similarity NPD3926 Phase 2
0.7055 Intermediate Similarity NPD1240 Approved
0.7052 Intermediate Similarity NPD3226 Approved
0.7048 Intermediate Similarity NPD2935 Discontinued
0.7048 Intermediate Similarity NPD2796 Approved
0.7045 Intermediate Similarity NPD5353 Approved
0.7037 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD7585 Approved
0.7005 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5710 Approved
0.7 Intermediate Similarity NPD5711 Approved
0.6982 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6982 Remote Similarity NPD7003 Approved
0.697 Remote Similarity NPD7583 Approved
0.697 Remote Similarity NPD1607 Approved
0.6968 Remote Similarity NPD9545 Approved
0.6968 Remote Similarity NPD8434 Phase 2
0.6954 Remote Similarity NPD3455 Phase 2
0.6946 Remote Similarity NPD1551 Phase 2
0.6944 Remote Similarity NPD8127 Discontinued
0.6928 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6927 Remote Similarity NPD919 Approved
0.6914 Remote Similarity NPD4908 Phase 1
0.6909 Remote Similarity NPD1933 Approved
0.6897 Remote Similarity NPD7930 Approved
0.6884 Remote Similarity NPD7584 Approved
0.6879 Remote Similarity NPD6273 Approved
0.6871 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6856 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6854 Remote Similarity NPD4288 Approved
0.6853 Remote Similarity NPD5005 Approved
0.6853 Remote Similarity NPD5006 Approved
0.6852 Remote Similarity NPD9494 Approved
0.6848 Remote Similarity NPD7177 Discontinued
0.6845 Remote Similarity NPD6099 Approved
0.6845 Remote Similarity NPD6100 Approved
0.6837 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6832 Remote Similarity NPD1470 Approved
0.6829 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6798 Discontinued
0.6811 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6807 Remote Similarity NPD447 Suspended
0.6806 Remote Similarity NPD4287 Approved
0.6805 Remote Similarity NPD2346 Discontinued
0.6805 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6794 Remote Similarity NPD5619 Clinical (unspecified phase)
0.678 Remote Similarity NPD6386 Approved
0.678 Remote Similarity NPD6385 Approved
0.6758 Remote Similarity NPD1247 Approved
0.6757 Remote Similarity NPD7799 Discontinued
0.6755 Remote Similarity NPD7549 Discontinued
0.6754 Remote Similarity NPD6841 Approved
0.6754 Remote Similarity NPD6843 Phase 3
0.6754 Remote Similarity NPD6842 Approved
0.675 Remote Similarity NPD7999 Approved
0.6743 Remote Similarity NPD920 Approved
0.6738 Remote Similarity NPD5953 Discontinued
0.6735 Remote Similarity NPD4420 Approved

Structure

External Identifiers

PubChem CID   73568
ChEMBL   CHEMBL449392
ZINC  

Physicochemical Properties

Molecular Weight:  634.08
ALogP:  -5.5485
MLogP:  2.45
XLogP:  -1.779
# Rotatable Bonds:  14
Polar Surface Area:  310.66
# H-Bond Aceptor:  9
# H-Bond Donor:  11
# Rings:  5
# Heavy Atoms:  45

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Biological Activities  
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