Natural Product: NPC287063

Natural Product ID:  NPC287063
Common Name:   Tingenone
IUPAC Name:   (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
Synonyms:   Maitenin; Tingenone
Molecular Formula:   C28H36O3
Standard InCHIKey:  WSTYNZDAOAEEKG-GWJSGULQSA-N
Standard InCHI:  InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
Canonical SMILES:  C[C@@H]1C[C@@H]2[C@@](CC1=O)(C)CC[C@]1([C@@]2(C)CC[C@@]2(C1=CC=C1C2=CC(=O)C(=C1C)O)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
NPO25293 Beaumontia brevituba Species Apocynaceae Eukaryota UNPD*
NPO5552 Solanum sisymbriifolium Species Solanaceae Eukaryota UNPD*
NPO20567 Montipora mollis Species Acroporidae Eukaryota UNPD*
NPO15755 Thymbra spicata Species Lamiaceae Eukaryota UNPD*
NPO13375 Palafoxia rosea Species Asteraceae Eukaryota UNPD*
NPO27660 Thunbergia grandiflora Species Acanthaceae Eukaryota UNPD*
NPO27616 Berberis lambertii Species Berberidaceae Eukaryota UNPD*
NPO24417 Centaurea hololeuca Species Asteraceae Eukaryota UNPD*
NPO16758 Satureja cuneifolia Species Lamiaceae Eukaryota UNPD*
NPO9876 Isocoma pluriflora Species Asteraceae Eukaryota UNPD*
NPO2217 Valeriana wolgensis Species Caprifoliaceae Eukaryota UNPD*
NPO24732 Cereus weberi Species Sagartiidae Eukaryota UNPD*
NPO21438 Cladiella kashmani Species Alcyoniidae Eukaryota UNPD*
NPO22806 Euphorbia leuconeura Species Euphorbiaceae Eukaryota UNPD*
NPO15961 Sida cordifolia Species Malvaceae Eukaryota UNPD*
NPO7484 Salacia chinensis Species Celastraceae Eukaryota UNPD*
NPO14034 Salvia coulteri Species Lamiaceae Eukaryota UNPD*
NPO27107 Coleus coerulescens Species Lamiaceae Eukaryota UNPD*
NPO21358 Pyrus ussuriensis Species Rosaceae Eukaryota UNPD*
NPO11296 Arthrinium arundinis Species Apiosporaceae Eukaryota UNPD*
NPO22409 Cyanostegia microphylla Species Lamiaceae Eukaryota UNPD*
NPO16175 Trichia floriformis Species Trichiidae Eukaryota UNPD*
NPO15393 Eucalyptus flocktoniae Species Myrtaceae Eukaryota UNPD*
NPO9780 Merremia umbellata Species Convolvulaceae Eukaryota UNPD*
NPO9420 Aspergillus arenarius Species Aspergillaceae Eukaryota UNPD*
NPO22006 Maytenus aquifolium Species Celastraceae Eukaryota UNPD*
NPO11178 Argemone munita Species Papaveraceae Eukaryota UNPD*
NPO10617 Tenodera aridifolia Species Mantidae Eukaryota UNPD*
NPO23289 Heracleum sphondylium Species Apiaceae Eukaryota UNPD*
NPO14544 Maytenus chuchuhuasca Species Celastraceae Eukaryota PMID[18164197]
NPO3391 Jungermannia obovata Species Jungermanniaceae Eukaryota UNPD*
NPO26017 Dalbergia stipulacea Species Fabaceae Eukaryota UNPD*
NPO8499 Osmerus mordax Species Osmeridae Eukaryota UNPD*
NPO7484 Salacia chinensis Species Celastraceae Eukaryota Stems Thailand PMID[14510595]
NPO5078 Turraeanthus mannii Species Meliaceae Eukaryota UNPD*
NPO16847 Consolida ajacis Species Ranunculaceae Eukaryota UNPD*
NPO16678 Flindersia brayleyana Species Rutaceae Eukaryota UNPD*
NPO28378 Kokoona ochracea Species Celastraceae Eukaryota PMID[8158155]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota UNPD*
NPO15138 Rheum webbianum Species Polygonaceae Eukaryota UNPD*
NPO11599 Elaeagnus commutata Species Elaeagnaceae Eukaryota UNPD*
NPO26894 Kokoona zeylanica Species Celastraceae Eukaryota PMID[11678653]
NPO12450 Cneorum pulverulentum Species Rutaceae Eukaryota UNPD*
NPO8818 Rohdea wattii Species Asparagaceae Eukaryota UNPD*
NPO14555 Porella swartziana Species Porellaceae Eukaryota UNPD*
NPO25224 Maytenus retusa Species Celastraceae Eukaryota PMID[21090801]
NPO13710 Lyophyllum shimeji Species Lyophyllaceae Eukaryota UNPD*
NPO12416 Quercus mongolica Species Fagaceae Eukaryota UNPD*
NPO24176 Streptomyces fradiae Species Streptomycetaceae Bacteria UNPD*
NPO22142 Hippocratea excelsa Species Celastraceae Eukaryota root bark PMID[17385912]
NPO26873 Echinochloa crus-galli Species Poaceae Eukaryota UNPD*
NPO15015 Meconopsis napaulensis Species Papaveraceae Eukaryota UNPD*
NPO5269 Coleus garckeanus Species Lamiaceae Eukaryota UNPD*
NPO2353 Bituminaria bituminosa Species Fabaceae Eukaryota UNPD*
NPO16516 Centaurea seridis Species Asteraceae Eukaryota UNPD*
NPO1118 Elymus repens Species Poaceae Eukaryota UNPD*
NPO14869 Ormosia panamensis Species Limoniidae Eukaryota UNPD*
NPO15272 Mascarenhasia arborescens Species Apocynaceae Eukaryota UNPD*
NPO20702 Discodermia dissoluta Species Theonellidae Eukaryota UNPD*
NPO13457 Acacia pachyphloia Species Fabaceae Eukaryota UNPD*
NPO15858 Phoebe formosana Species Lauraceae Eukaryota UNPD*
NPO11194 Bombus hortorum Species Apidae Eukaryota UNPD*
NPO14826 Streptomyces mobaraensis Species Streptomycetaceae Bacteria UNPD*
NPO16428 Millettia conraui Species Fabaceae Eukaryota UNPD*
NPO12555 Aspergillus quadrilineatus Species Aspergillaceae Eukaryota UNPD*
NPO4267 Ceratocystis clavigera Species Ceratocystidaceae Eukaryota UNPD*
NPO22471 Maytenus cuzcoina Species Celastraceae Eukaryota UNPD*
NPO13230 Pedicularis condensata Species Orobanchaceae Eukaryota UNPD*
NPO16652 Centipeda cunninghami Species Asteraceae Eukaryota UNPD*
NPO19626 Lavandula dentata Species Lamiaceae Eukaryota UNPD*
NPO22524 Ranunculus sceleratus Species Ranunculaceae Eukaryota UNPD*
NPO24927 Calyx podatypa Species Phloeodictyidae Eukaryota UNPD*
NPO15510 Kummerowia striata Species Fabaceae Eukaryota UNPD*
NPO12680 Perityle vaseyi Species Asteraceae Eukaryota UNPD*
NPO13187 Sclerotinia homoeocarpa Species Sclerotiniaceae Eukaryota UNPD*
NPO25232 Peperomia heyneana Species Piperaceae Eukaryota UNPD*
NPO22593 Graphis rikuzensis Species Aclididae Eukaryota UNPD*
NPO27395 Mandragora officinarum Species Solanaceae Eukaryota UNPD*
NPO2523 Polycitorella mariae Species Polycitoridae Eukaryota UNPD*
NPO11881 Adenopeltis colliguaya Species Euphorbiaceae Eukaryota UNPD*
NPO27680 Zanthoxylum syncarpum Species Rutaceae Eukaryota UNPD*
NPO3480 Lathyrus hirsutus Species Fabaceae Eukaryota UNPD*
NPO12977 Solenopsis invicta Species Formicidae Eukaryota UNPD*
NPO13945 Ariocarpus retusus Species Cactaceae Eukaryota UNPD*
NPO13859 Senecio flavus Species Asteraceae Eukaryota UNPD*
NPO4935 Dinemasporium strigosum Species Chaetosphaeriaceae Eukaryota UNPD*
NPO10220 Lobelia davidii Species Campanulaceae Eukaryota UNPD*
NPO13548 Chrozophora obliqua Species Euphorbiaceae Eukaryota UNPD*
NPO14218 Spodoptera littoralis Species Noctuidae Eukaryota UNPD*
NPO26370 Iryanthera juruensis Species Myristicaceae Eukaryota UNPD*
NPO26578 Astragalus pamirensis Species Fabaceae Eukaryota UNPD*
NPO5728 Gerbera piloselloides Species Asteraceae Eukaryota UNPD*
NPO16903 Chisocheton siamensis Species Meliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2645 Organism Giardia intestinalis Giardia intestinalis IC50 = 740 nM 17385912
NPT2 Others Unspecified IC50 = 8000 nM 18164197
NPT389 Cell Line RPMI-8226 Homo sapiens IC50 = 7000 nM 18164197
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Activity = 325 ug/ml 11678653
NPT68 Individual Protein Aldose reductase Rattus norvegicus IC50 = 13000 nM 14510595
NPT168 Cell Line P388 Mus musculus ED50 = 0.1 ug/ml 8158155
NPT2 Others Unspecified ED50 = 0.3 ug/ml 8158155
NPT453 Cell Line HT-1080 Homo sapiens ED50 = 0.7 ug/ml 8158155
NPT1034 Cell Line Lu1 Homo sapiens ED50 = 0.6 ug/ml 8158155
NPT147 Cell Line SK-MEL-2 Homo sapiens ED50 = 0.2 ug/ml 8158155
NPT91 Cell Line KB Homo sapiens ED50 = 0.9 ug/ml 8158155
NPT2 Others Unspecified ED50 = 0.5 ug/ml 8158155
NPT2 Others Unspecified ED50 = 0.4 ug/ml 8158155
NPT762 Cell Line A-431 Homo sapiens ED50 = 0.4 ug/ml 8158155
NPT858 Cell Line LNCaP Homo sapiens ED50 = 0.7 ug/ml 8158155
NPT133 Cell Line ZR-75-1 Homo sapiens ED50 = 0.2 ug/ml 8158155
NPT2 Others Unspecified ED50 = 0.6 ug/ml 8158155
NPT1851 Cell Line Col2 Homo sapiens ED50 = 0.2 ug/ml 8158155
NPT137 Cell Line L1210 Mus musculus IC50 = 0.14 ug/ml 7714534
NPT168 Cell Line P388 Mus musculus IC50 = 0.041 ug/ml 7714534
NPT91 Cell Line KB Homo sapiens IC50 = 0.28 ug/ml 7714534
NPT2 Others Unspecified IC50 = 9900 nM 20167482
NPT2 Others Unspecified Ki = 4000 nM 20167482
NPT206 Individual Protein Protein-tyrosine phosphatase 2C Homo sapiens IC50 = 61600 nM 21193311
NPT116 Cell Line HL-60 Homo sapiens IC50 = 500 nM 21090801
NPT83 Cell Line MCF7 Homo sapiens Inhibition = 100 % 21090801
NPT83 Cell Line MCF7 Homo sapiens Inhibition = 97 % 21090801
NPT83 Cell Line MCF7 Homo sapiens Inhibition = 17 % 21090801
NPT116 Cell Line HL-60 Homo sapiens Inhibition = 96 % 21090801
NPT116 Cell Line HL-60 Homo sapiens Inhibition = 100 % 21090801
NPT116 Cell Line HL-60 Homo sapiens Inhibition = 46 % 21090801
NPT83 Cell Line MCF7 Homo sapiens IC50 = 3000 nM 21090801
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 0 10637057
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 1.4 10637057
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 3 10637057
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 0.3 10637057
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 0.7 10637057
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 3.3 % 10637057
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 0 % 10637057
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 100 % 10637057
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 10 % 10637057
NPT1637 Organism Cydia pomonella Cydia pomonella Activity = 93.3 % 10637057

  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 NPC287063 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
0.9867 High Similarity NPC475863
0.9605 High Similarity NPC470034
0.9367 High Similarity NPC33881
0.92 High Similarity NPC112680
0.8947 High Similarity NPC292589
0.8916 High Similarity NPC68148
0.8916 High Similarity NPC112454
0.8916 High Similarity NPC65615
0.8875 High Similarity NPC53733
0.8846 High Similarity NPC27817
0.8706 High Similarity NPC174167
0.8706 High Similarity NPC470036
0.8701 High Similarity NPC1254
0.8605 High Similarity NPC263780
0.8605 High Similarity NPC211230
0.8506 High Similarity NPC474882
0.85 High Similarity NPC18955
0.8462 Intermediate Similarity NPC110725
0.8421 Intermediate Similarity NPC190035
0.8415 Intermediate Similarity NPC291999
0.8415 Intermediate Similarity NPC309309
0.8409 Intermediate Similarity NPC777
0.8395 Intermediate Similarity NPC225515
0.8313 Intermediate Similarity NPC53385
0.8295 Intermediate Similarity NPC474328
0.8272 Intermediate Similarity NPC108955
0.825 Intermediate Similarity NPC189485
0.8228 Intermediate Similarity NPC92080
0.8214 Intermediate Similarity NPC469993
0.8171 Intermediate Similarity NPC99308
0.8171 Intermediate Similarity NPC55869
0.8158 Intermediate Similarity NPC286814
0.8133 Intermediate Similarity NPC20181
0.8133 Intermediate Similarity NPC220210
0.809 Intermediate Similarity NPC23170
0.8026 Intermediate Similarity NPC82477
0.8026 Intermediate Similarity NPC142754
0.8026 Intermediate Similarity NPC296697
0.8026 Intermediate Similarity NPC310992
0.8026 Intermediate Similarity NPC39157
0.8025 Intermediate Similarity NPC30321
0.8 Intermediate Similarity NPC147232
0.8 Intermediate Similarity NPC474537
0.7976 Intermediate Similarity NPC105803
0.7976 Intermediate Similarity NPC70834
0.7952 Intermediate Similarity NPC471898
0.7952 Intermediate Similarity NPC121984
0.7949 Intermediate Similarity NPC225467
0.7922 Intermediate Similarity NPC474060
0.7889 Intermediate Similarity NPC160413
0.7882 Intermediate Similarity NPC96095
0.7875 Intermediate Similarity NPC473171
0.7857 Intermediate Similarity NPC251779
0.7857 Intermediate Similarity NPC310989
0.7857 Intermediate Similarity NPC69101
0.7848 Intermediate Similarity NPC474488
0.7831 Intermediate Similarity NPC2482
0.7805 Intermediate Similarity NPC476808
0.7792 Intermediate Similarity NPC260474
0.7792 Intermediate Similarity NPC188292
0.7791 Intermediate Similarity NPC241512
0.7791 Intermediate Similarity NPC132228
0.7791 Intermediate Similarity NPC6185
0.7791 Intermediate Similarity NPC8518
0.7791 Intermediate Similarity NPC474680
0.7791 Intermediate Similarity NPC263997
0.7738 Intermediate Similarity NPC263272
0.7738 Intermediate Similarity NPC142244
0.7738 Intermediate Similarity NPC274050
0.7738 Intermediate Similarity NPC162632
0.7738 Intermediate Similarity NPC267691
0.7738 Intermediate Similarity NPC3915
0.7727 Intermediate Similarity NPC230387
0.7711 Intermediate Similarity NPC192329
0.7708 Intermediate Similarity NPC213366
0.7692 Intermediate Similarity NPC139397
0.7674 Intermediate Similarity NPC87552
0.7674 Intermediate Similarity NPC180834
0.7654 Intermediate Similarity NPC293803
0.7654 Intermediate Similarity NPC175079
0.7647 Intermediate Similarity NPC103486
0.764 Intermediate Similarity NPC474918
0.7625 Intermediate Similarity NPC474228
0.7625 Intermediate Similarity NPC303613
0.7595 Intermediate Similarity NPC260040
0.7595 Intermediate Similarity NPC282593
0.7595 Intermediate Similarity NPC265782
0.7595 Intermediate Similarity NPC159577
0.7595 Intermediate Similarity NPC2634
0.7595 Intermediate Similarity NPC35734
0.7595 Intermediate Similarity NPC307176
0.7595 Intermediate Similarity NPC251929
0.759 Intermediate Similarity NPC115515
0.7586 Intermediate Similarity NPC32037
0.7586 Intermediate Similarity NPC133652
0.7586 Intermediate Similarity NPC255174
0.7564 Intermediate Similarity NPC87141
0.7556 Intermediate Similarity NPC252737
0.7531 Intermediate Similarity NPC474796
0.7531 Intermediate Similarity NPC128346
0.7531 Intermediate Similarity NPC474797
0.7531 Intermediate Similarity NPC219232
0.7531 Intermediate Similarity NPC255021
0.7531 Intermediate Similarity NPC329866
0.7531 Intermediate Similarity NPC211641
0.7529 Intermediate Similarity NPC473217
0.7529 Intermediate Similarity NPC278459
0.7529 Intermediate Similarity NPC474085
0.7529 Intermediate Similarity NPC4166
0.7529 Intermediate Similarity NPC475833
0.75 Intermediate Similarity NPC305501
0.75 Intermediate Similarity NPC231431
0.75 Intermediate Similarity NPC115023
0.75 Intermediate Similarity NPC54123
0.75 Intermediate Similarity NPC199595
0.75 Intermediate Similarity NPC170793
0.75 Intermediate Similarity NPC469662
0.75 Intermediate Similarity NPC181204
0.75 Intermediate Similarity NPC474113
0.75 Intermediate Similarity NPC16394
0.75 Intermediate Similarity NPC470078
0.75 Intermediate Similarity NPC94666
0.7473 Intermediate Similarity NPC301244
0.7471 Intermediate Similarity NPC144258
0.7471 Intermediate Similarity NPC237712
0.747 Intermediate Similarity NPC165711
0.747 Intermediate Similarity NPC471897
0.747 Intermediate Similarity NPC107039
0.747 Intermediate Similarity NPC471899
0.7468 Intermediate Similarity NPC256846
0.7444 Intermediate Similarity NPC477973
0.7442 Intermediate Similarity NPC320514
0.7442 Intermediate Similarity NPC472867
0.7442 Intermediate Similarity NPC3511
0.7442 Intermediate Similarity NPC311092
0.7442 Intermediate Similarity NPC472239
0.7442 Intermediate Similarity NPC142253
0.7416 Intermediate Similarity NPC476293
0.7416 Intermediate Similarity NPC93778
0.7416 Intermediate Similarity NPC73064
0.7416 Intermediate Similarity NPC470523
0.7416 Intermediate Similarity NPC71507
0.7412 Intermediate Similarity NPC37038
0.7412 Intermediate Similarity NPC476809
0.7412 Intermediate Similarity NPC474509
0.7412 Intermediate Similarity NPC26139
0.7407 Intermediate Similarity NPC180015
0.7407 Intermediate Similarity NPC56747
0.7407 Intermediate Similarity NPC251705
0.7407 Intermediate Similarity NPC470045
0.7407 Intermediate Similarity NPC130016
0.7407 Intermediate Similarity NPC470044
0.7407 Intermediate Similarity NPC109576
0.7403 Intermediate Similarity NPC251118
0.7386 Intermediate Similarity NPC274724
0.7386 Intermediate Similarity NPC469948
0.7386 Intermediate Similarity NPC133954
0.7386 Intermediate Similarity NPC33663
0.7381 Intermediate Similarity NPC82635
0.7381 Intermediate Similarity NPC280654
0.7381 Intermediate Similarity NPC110094
0.7381 Intermediate Similarity NPC275494
0.7381 Intermediate Similarity NPC260385
0.7381 Intermediate Similarity NPC471409
0.7368 Intermediate Similarity NPC197238
0.7368 Intermediate Similarity NPC202118
0.7363 Intermediate Similarity NPC475823
0.7363 Intermediate Similarity NPC474209
0.7363 Intermediate Similarity NPC46441
0.7363 Intermediate Similarity NPC129913
0.7356 Intermediate Similarity NPC41539
0.7356 Intermediate Similarity NPC470015
0.7356 Intermediate Similarity NPC279639
0.7356 Intermediate Similarity NPC102197
0.7356 Intermediate Similarity NPC307258
0.7356 Intermediate Similarity NPC69279
0.7356 Intermediate Similarity NPC83569
0.7356 Intermediate Similarity NPC3856
0.7356 Intermediate Similarity NPC168188
0.7349 Intermediate Similarity NPC180886
0.7349 Intermediate Similarity NPC69408
0.7349 Intermediate Similarity NPC26504
0.7349 Intermediate Similarity NPC309399
0.7349 Intermediate Similarity NPC89294
0.7342 Intermediate Similarity NPC20610
0.7333 Intermediate Similarity NPC206060
0.7333 Intermediate Similarity NPC127582
0.7333 Intermediate Similarity NPC472802
0.7333 Intermediate Similarity NPC474511
0.7333 Intermediate Similarity NPC474474
0.7333 Intermediate Similarity NPC1753
0.7333 Intermediate Similarity NPC470524
0.7326 Intermediate Similarity NPC116797
0.7326 Intermediate Similarity NPC189237
0.7326 Intermediate Similarity NPC44963
0.7326 Intermediate Similarity NPC472684
0.7317 Intermediate Similarity NPC309852
0.7312 Intermediate Similarity NPC80365
0.7303 Intermediate Similarity NPC145879
0.7303 Intermediate Similarity NPC475862

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC287063 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
0.8916 High Similarity NPD7285 Clinical (unspecified phase)
0.8049 Intermediate Similarity NPD4695 Discontinued
0.7975 Intermediate Similarity NPD5733 Approved
0.7805 Intermediate Similarity NPD3617 Approved
0.775 Intermediate Similarity NPD4058 Approved
0.775 Intermediate Similarity NPD4687 Approved
0.7738 Intermediate Similarity NPD8028 Phase 2
0.7722 Intermediate Similarity NPD5276 Approved
0.7701 Intermediate Similarity NPD5280 Approved
0.7701 Intermediate Similarity NPD4694 Approved
0.7692 Intermediate Similarity NPD4137 Phase 3
0.7595 Intermediate Similarity NPD4747 Approved
0.7595 Intermediate Similarity NPD4691 Approved
0.7586 Intermediate Similarity NPD5329 Approved
0.75 Intermediate Similarity NPD5279 Phase 3
0.7471 Intermediate Similarity NPD4197 Approved
0.7303 Intermediate Similarity NPD5690 Phase 2
0.7283 Intermediate Similarity NPD7515 Phase 2
0.7241 Intermediate Similarity NPD4223 Phase 3
0.7241 Intermediate Similarity NPD4221 Approved
0.7209 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD5133 Approved
0.7158 Intermediate Similarity NPD7614 Phase 1
0.7128 Intermediate Similarity NPD7748 Approved
0.7125 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD3666 Approved
0.7079 Intermediate Similarity NPD3133 Approved
0.7079 Intermediate Similarity NPD4786 Approved
0.7079 Intermediate Similarity NPD3665 Phase 1
0.7065 Intermediate Similarity NPD4753 Phase 2
0.7045 Intermediate Similarity NPD3667 Approved
0.6966 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5205 Approved
0.6923 Remote Similarity NPD4690 Approved
0.6923 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4519 Discontinued
0.6923 Remote Similarity NPD4688 Approved
0.6923 Remote Similarity NPD3618 Phase 1
0.6923 Remote Similarity NPD4623 Approved
0.6923 Remote Similarity NPD4689 Approved
0.6923 Remote Similarity NPD4138 Approved
0.6923 Remote Similarity NPD4693 Phase 3
0.6915 Remote Similarity NPD5284 Approved
0.6915 Remote Similarity NPD6050 Approved
0.6915 Remote Similarity NPD5281 Approved
0.6907 Remote Similarity NPD7902 Approved
0.6882 Remote Similarity NPD5328 Approved
0.6809 Remote Similarity NPD5692 Phase 3
0.6809 Remote Similarity NPD4096 Approved
0.6774 Remote Similarity NPD6672 Approved
0.6774 Remote Similarity NPD5737 Approved
0.6774 Remote Similarity NPD4518 Approved
0.6774 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6737 Remote Similarity NPD5694 Approved
0.6737 Remote Similarity NPD6079 Approved
0.6735 Remote Similarity NPD6084 Phase 2
0.6735 Remote Similarity NPD6083 Phase 2
0.6702 Remote Similarity NPD6673 Approved
0.6702 Remote Similarity NPD6080 Approved
0.6702 Remote Similarity NPD6904 Approved
0.6701 Remote Similarity NPD5695 Phase 3
0.6701 Remote Similarity NPD4629 Approved
0.6701 Remote Similarity NPD5210 Approved
0.6667 Remote Similarity NPD7812 Clinical (unspecified phase)
0.6633 Remote Similarity NPD7732 Phase 3
0.6633 Remote Similarity NPD5221 Approved
0.6633 Remote Similarity NPD5222 Approved
0.6633 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6633 Remote Similarity NPD4697 Phase 3
0.6623 Remote Similarity NPD287 Approved
0.6598 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6598 Remote Similarity NPD7900 Approved
0.6593 Remote Similarity NPD4788 Approved
0.6566 Remote Similarity NPD4755 Approved
0.6566 Remote Similarity NPD5173 Approved
0.6559 Remote Similarity NPD7521 Approved
0.6559 Remote Similarity NPD7334 Approved
0.6559 Remote Similarity NPD5330 Approved
0.6559 Remote Similarity NPD6684 Approved
0.6559 Remote Similarity NPD6409 Approved
0.6559 Remote Similarity NPD6098 Approved
0.6559 Remote Similarity NPD7146 Approved
0.6556 Remote Similarity NPD4692 Approved
0.6556 Remote Similarity NPD4139 Approved
0.6531 Remote Similarity NPD5654 Approved
0.6522 Remote Similarity NPD3668 Phase 3
0.6517 Remote Similarity NPD4195 Approved
0.65 Remote Similarity NPD2664 Clinical (unspecified phase)
0.65 Remote Similarity NPD5696 Approved
0.6495 Remote Similarity NPD6399 Phase 3
0.6495 Remote Similarity NPD4202 Approved
0.6489 Remote Similarity NPD3573 Approved
0.6463 Remote Similarity NPD7331 Phase 2
0.6458 Remote Similarity NPD5207 Approved
0.6452 Remote Similarity NPD1696 Phase 3
0.6436 Remote Similarity NPD4696 Approved
0.6436 Remote Similarity NPD4700 Approved
0.6436 Remote Similarity NPD5285 Approved
0.6436 Remote Similarity NPD5286 Approved
0.6421 Remote Similarity NPD6903 Approved
0.64 Remote Similarity NPD5959 Approved
0.6392 Remote Similarity NPD5693 Phase 1
0.6373 Remote Similarity NPD5223 Approved
0.6341 Remote Similarity NPD7341 Phase 2
0.6333 Remote Similarity NPD7645 Phase 2
0.6311 Remote Similarity NPD5226 Approved
0.6311 Remote Similarity NPD5225 Approved
0.6311 Remote Similarity NPD5224 Approved
0.6311 Remote Similarity NPD4633 Approved
0.6311 Remote Similarity NPD5211 Phase 2
0.6311 Remote Similarity NPD5091 Approved
0.6286 Remote Similarity NPD5739 Approved
0.6286 Remote Similarity NPD6675 Approved
0.6286 Remote Similarity NPD7128 Approved
0.6286 Remote Similarity NPD6402 Approved
0.6275 Remote Similarity NPD6404 Discontinued
0.625 Remote Similarity NPD5208 Approved
0.625 Remote Similarity NPD5174 Approved
0.625 Remote Similarity NPD4754 Approved
0.625 Remote Similarity NPD5175 Approved
0.6224 Remote Similarity NPD6411 Approved
0.619 Remote Similarity NPD5141 Approved
0.6168 Remote Similarity NPD7320 Approved
0.6168 Remote Similarity NPD6899 Approved
0.6168 Remote Similarity NPD6881 Approved
0.6163 Remote Similarity NPD4789 Approved
0.6136 Remote Similarity NPD4785 Approved
0.6136 Remote Similarity NPD4784 Approved
0.6132 Remote Similarity NPD4768 Approved
0.6132 Remote Similarity NPD4767 Approved
0.6111 Remote Similarity NPD6372 Approved
0.6111 Remote Similarity NPD6373 Approved
0.6105 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6092 Remote Similarity NPD4243 Approved
0.6078 Remote Similarity NPD3495 Discontinued
0.6075 Remote Similarity NPD5697 Approved
0.6075 Remote Similarity NPD6412 Phase 2
0.6075 Remote Similarity NPD5701 Approved
0.6067 Remote Similarity NPD7339 Approved
0.6067 Remote Similarity NPD6942 Approved
0.6067 Remote Similarity NPD8264 Approved
0.6055 Remote Similarity NPD7290 Approved
0.6055 Remote Similarity NPD6883 Approved
0.6055 Remote Similarity NPD7102 Approved
0.6047 Remote Similarity NPD6923 Approved
0.6047 Remote Similarity NPD6922 Approved
0.604 Remote Similarity NPD6356 Clinical (unspecified phase)
0.602 Remote Similarity NPD6101 Approved
0.602 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6019 Remote Similarity NPD5128 Approved
0.6019 Remote Similarity NPD4729 Approved
0.6019 Remote Similarity NPD6011 Approved
0.6019 Remote Similarity NPD5168 Approved
0.6019 Remote Similarity NPD4730 Approved
0.6 Remote Similarity NPD6869 Approved
0.6 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6 Remote Similarity NPD8130 Phase 1
0.6 Remote Similarity NPD6650 Approved
0.6 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6 Remote Similarity NPD6649 Approved
0.6 Remote Similarity NPD6847 Approved
0.6 Remote Similarity NPD6617 Approved
0.5977 Remote Similarity NPD7143 Approved
0.5977 Remote Similarity NPD7144 Approved
0.5976 Remote Similarity NPD4192 Approved
0.5976 Remote Similarity NPD4194 Approved
0.5976 Remote Similarity NPD4193 Approved
0.5976 Remote Similarity NPD4191 Approved
0.5963 Remote Similarity NPD6013 Approved
0.5963 Remote Similarity NPD6012 Approved
0.5963 Remote Similarity NPD6014 Approved
0.5955 Remote Similarity NPD6924 Approved
0.5955 Remote Similarity NPD6926 Approved
0.5946 Remote Similarity NPD6882 Approved
0.5946 Remote Similarity NPD8297 Approved
0.5941 Remote Similarity NPD6001 Approved
0.5934 Remote Similarity NPD4756 Discovery
0.593 Remote Similarity NPD5361 Clinical (unspecified phase)
0.593 Remote Similarity NPD5360 Phase 3
0.5909 Remote Similarity NPD5169 Approved
0.5909 Remote Similarity NPD5251 Approved
0.5909 Remote Similarity NPD5135 Approved
0.5909 Remote Similarity NPD7151 Approved
0.5909 Remote Similarity NPD7150 Approved
0.5909 Remote Similarity NPD5247 Approved
0.5909 Remote Similarity NPD4634 Approved
0.5909 Remote Similarity NPD5248 Approved
0.5909 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5909 Remote Similarity NPD5249 Phase 3
0.5909 Remote Similarity NPD5250 Approved
0.5909 Remote Similarity NPD7152 Approved
0.5882 Remote Similarity NPD4224 Phase 2
0.5882 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5882 Remote Similarity NPD3704 Approved
0.5865 Remote Similarity NPD7638 Approved
0.5856 Remote Similarity NPD5215 Approved
0.5856 Remote Similarity NPD5216 Approved
0.5856 Remote Similarity NPD5127 Approved
0.5856 Remote Similarity NPD5217 Approved
0.5847 Remote Similarity NPD8328 Phase 3

Structure

External Identifiers

PubChem CID   101520
ChEMBL   CHEMBL432519
ZINC  

Physicochemical Properties

Molecular Weight:  420.27
ALogP:  2.1329
MLogP:  4.21
XLogP:  7.159
# Rotatable Bonds:  7
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  31

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Biological Activities  
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