Natural Product: NPC304309

Natural Product ID:  NPC304309
Common Name:   (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-Dimethylheptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
IUPAC Name:   (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms:  
Molecular Formula:   C28H48O
Standard InCHIKey:  SGNBVLSWZMBQTH-ZRUUVFCLSA-N
Standard InCHI:  InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
Canonical SMILES:  O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@@H](C(C)C)C)C)C)C1)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
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO1795 Fragaria vesca Species Rosaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[17613052]
NPO3465 Aconitum leucostomum Species Ranunculaceae Eukaryota UNPD*
NPO1329 Esenbeckia hartmanii Species Rutaceae Eukaryota UNPD*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO7884 Centaurea amara Species Asteraceae Eukaryota UNPD*
NPO12735 Halimeda macroloba Species Halimedaceae Eukaryota UNPD*
NPO18805 Tripolium pannonicum Species Asteraceae Eukaryota UNPD*
NPO7016 Gardenia tubifera Species Rubiaceae Eukaryota UNPD*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO5799 Streptomyces chryseus Species Streptomycetaceae Bacteria UNPD*
NPO26763 Rhododendron micranthum Species Ericaceae Eukaryota UNPD*
NPO12684 Trigonella grandiflora Species Fabaceae Eukaryota UNPD*
NPO210 Uvaria calamistrata Species Annonaceae Eukaryota UNPD*
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota TM-MC*
NPO21672 Lonicera microphylla Species Caprifoliaceae Eukaryota UNPD*
NPO13014 Ipomoea cairica Species Convolvulaceae Eukaryota UNPD*
NPO20605 Peltoboykinia tellimoides Species Saxifragaceae Eukaryota UNPD*
NPO5287 Strychnos cathayensis Species Loganiaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO16004 Phyllotopsis nidulans Species Lentinaceae Eukaryota UNPD*
NPO664 Potentilla multifida Species Rosaceae Eukaryota UNPD*
NPO13568 Hypoxylon rubiginosum Species Xylariaceae Eukaryota UNPD*
NPO2917 Artemisia oranensis Species Asteraceae Eukaryota UNPD*
NPO20930 Patrinia scabiosifolia Species Caprifoliaceae Eukaryota TM-MC*
NPO3319 Helichrysum nitens Species Asteraceae Eukaryota UNPD*
NPO7171 Salvia polystachya Species Lamiaceae Eukaryota UNPD*
NPO9161 Celastrus pringlei Species Celastraceae Eukaryota UNPD*
NPO1260 Chlorosplenium aeruginosum NA NA NA UNPD*
NPO223 Rhaponticum carthamoides Species Asteraceae Eukaryota UNPD*
NPO11492 Kopsia grandifolia Species Apocynaceae Eukaryota UNPD*
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota TM-MC*
NPO4004 Aquilegia ecalcarata Species Ranunculaceae Eukaryota UNPD*
NPO4783 Cyphus niveus NA NA NA UNPD*
NPO21463 Aruncus dioicus Species Rosaceae Eukaryota UNPD*
NPO10043 Phebalium ozothamnoides Species Rutaceae Eukaryota UNPD*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO9398 Cortinarius rubellus Species Cortinariaceae Eukaryota UNPD*
NPO14162 Chlorophytum borivilianum Species Asparagaceae Eukaryota UNPD*
NPO9839 Polanisia dodecandra Species Cleomaceae Eukaryota UNPD*
NPO29579 Arisaematis rhizoma NA NA NA TCMSP*
NPO24560 Ricinus communis Species Euphorbiaceae Eukaryota TM-MC*
NPO10550 Artemisia hanseniana Species Asteraceae Eukaryota UNPD*
NPO4797 Gavia immer Species Gaviidae Eukaryota UNPD*
NPO11515 Streptomyces plumbeus Species Streptomycetaceae Bacteria UNPD*
NPO3560 Trifolium montanum Species Fabaceae Eukaryota UNPD*
NPO13736 Cnidii fructus NA NA NA TCMSP*
NPO10903 Sinopodophyllum hexandrum Species Berberidaceae Eukaryota TM-MC*
NPO2498 Kochia trichophylla Species Chenopodiaceae Eukaryota UNPD*
NPO12357 Lycopus europaeus Species Lamiaceae Eukaryota UNPD*
NPO11248 Tachigalia paniculata NA NA NA UNPD*
NPO7123 Aria intermedia Species Rosaceae Eukaryota UNPD*
NPO9499 Epimrdii herba NA NA NA TCMSP*
NPO205 Lasianthus fordii Species Rubiaceae Eukaryota UNPD*
NPO11120.1 Brassica rapa subsp. chinensis Subspecies Brassicaceae Eukaryota UNPD*
NPO7102 Reniera sarai NA NA NA UNPD*
NPO6821 Tricholoma muscarium Species Tricholomataceae Eukaryota UNPD*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO13166 Nicotiana undulata Species Solanaceae Eukaryota UNPD*
NPO28795 Retiboletus ornatipes Species Boletaceae Eukaryota UNPD*
NPO7049 Trichocolea tomentella Species Trichocoleaceae Eukaryota UNPD*
NPO12001 Saccharomyces pastori Species Saccharomycetaceae Eukaryota UNPD*
NPO20357 Millettiae speciosae radix NA NA NA TCMSP*
NPO10954 Topsentia genitrix Species NA Eukaryota UNPD*
NPO9572 Myrtopsis sellingii Species Rutaceae Eukaryota UNPD*
NPO16703 Isodon lophanthoides Species Lamiaceae Eukaryota UNPD*
NPO392 Laurencia composita Species Rhodomelaceae Eukaryota UNPD*
NPO11998 Ledebouria socialis Species Hyacinthaceae Eukaryota UNPD*
NPO5336 Aconitum koreanum Species Ranunculaceae Eukaryota TM-MC*
NPO22666 Haematococcus lacustris Species Haematococcaceae Eukaryota UNPD*
NPO11885 Dysoxylum lenticellatum Species Meliaceae Eukaryota UNPD*
NPO11119 Salta triflora Species Polygonaceae Eukaryota UNPD*
NPO13467 Anarsia lineatella Species Gelechiidae Eukaryota UNPD*
NPO21854 Pterocladiella tenuis Species Gelidiaceae Eukaryota UNPD*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota UNPD*
NPO19635 Coreopsis nodosa Species Asteraceae Eukaryota UNPD*
NPO9636 Micromonospora coerulea Species Micromonosporaceae Bacteria UNPD*
NPO14764 Ehretia laevis Species Ehretiaceae Eukaryota UNPD*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota UNPD*
NPO12952 Cabucala madagascariensis Species Apocynaceae Eukaryota UNPD*
NPO5191 Penicillium cinerascens Species Aspergillaceae Eukaryota UNPD*
NPO15821 Apis dorsata Species Apidae Eukaryota UNPD*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO12583 Sauromatum giganteum Species Araceae Eukaryota TM-MC*
NPO3171 Menisporopsis theobromae Species NA Eukaryota UNPD*
NPO14255 Streptomyces flocculus Species Streptomycetaceae Bacteria UNPD*
NPO5007 Deltocyathus magnificus Species Caryophylliidae Eukaryota UNPD*
NPO8892 Sordaria araneosa Species Sordariaceae Eukaryota UNPD*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO5451 Ageratina saltillensis Species Asteraceae Eukaryota UNPD*
NPO13766 Ceanothus velutinus Species Rhamnaceae Eukaryota UNPD*
NPO6011 Pleurotus citrinopileatus Species Pleurotaceae Eukaryota UNPD*
NPO20863 Buphthalmum grandiflorum Species Asteraceae Eukaryota UNPD*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TM-MC*
NPO5189 Glycine tomentella Species Fabaceae Eukaryota UNPD*
NPO11488 Alstonia muelleriana Species Apocynaceae Eukaryota UNPD*
NPO14057 Apollonias barbujana Species Lauraceae Eukaryota UNPD*
NPO13496 Mentzelia lindleyi Species Loasaceae Eukaryota UNPD*
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota TM-MC*
NPO12250 Strychnos fendleri Species Loganiaceae Eukaryota UNPD*
NPO731 Panax schinseng Species Araliaceae Eukaryota UNPD*
NPO7543 Haplopappus venetus Species Asteraceae Eukaryota UNPD*
NPO26231 Vicia villosa Species Fabaceae Eukaryota UNPD*
NPO12496 Elsholtzia blanda Species Lamiaceae Eukaryota UNPD*
NPO9047.1 Brassica rapa subsp. oleifera Subspecies Brassicaceae Eukaryota TM-MC*
NPO21062 Clibadium armanii Species Asteraceae Eukaryota UNPD*
NPO12012 Saururus cernuus Species Saururaceae Eukaryota UNPD*
NPO460 Alangium ridleyi Species Cornaceae Eukaryota UNPD*
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota UNPD*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO8068 Blumea mollis Species Asteraceae Eukaryota UNPD*
NPO12509 Dipterocarpus dyeri Species Dipterocarpaceae Eukaryota UNPD*
NPO5679 Topsentia roquensis Species NA Eukaryota UNPD*
NPO8133 Woodwardia orientalis Species Blechnaceae Eukaryota UNPD*
NPO11144 Centella asiatica Species Apiaceae Eukaryota TM-MC*
NPO14942 Picea glehnii Species Pinaceae Eukaryota UNPD*
NPO7998 Senecio paludaffinis Species Asteraceae Eukaryota UNPD*
NPO5177 Lecanora conizaeoides Species Lecanoraceae Eukaryota UNPD*
NPO4671 Persea mexicana Species Lauraceae Eukaryota UNPD*
NPO27451 Ophiocordyceps sinensis Species Ophiocordycipitaceae Eukaryota TM-MC*
NPO17943 Amburana cearensis Species Fabaceae Eukaryota UNPD*
NPO9576 Bufo bufo Species Bufonidae Eukaryota UNPD*
NPO13364 Caloncoba glauca Species Achariaceae Eukaryota UNPD*
NPO14881 Senecio nemorensis Species Asteraceae Eukaryota UNPD*
NPO19205 Buxus sempervirens Species Buxaceae Eukaryota UNPD*
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO735 Pteraster multipes Species Pterasteridae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO4070 Eupatorium sternbergianum Species Asteraceae Eukaryota UNPD*
NPO4658 Hedysarum denticulatum Species Fabaceae Eukaryota UNPD*
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO746 Panax innovans Species Araliaceae Eukaryota UNPD*
NPO10540 Passiflora incarnata Species Passifloraceae Eukaryota UNPD*
NPO10672 Vitex megapotamica Species Lamiaceae Eukaryota UNPD*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO7966 Grewia villosa Species Malvaceae Eukaryota UNPD*
NPO6350 Spongia officinalis Species Spongiidae Eukaryota UNPD*
NPO3983 Piper futokadsura Species Piperaceae Eukaryota UNPD*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota TM-MC*
NPO14354 Artemisia cina Species Asteraceae Eukaryota UNPD*
NPO15315 Boswellia carterii Species Burseraceae Eukaryota UNPD*
NPO6887 Lytanthus salicinus NA NA NA UNPD*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota TM-MC*
NPO5813 Ligularia songarica Species Asteraceae Eukaryota UNPD*
NPO11642 Dacrydium cupressinum Species Podocarpaceae Eukaryota UNPD*
NPO13968 Garcinia scortechinii Species Clusiaceae Eukaryota UNPD*
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota TM-MC*
NPO14358 Rhodobacter sphaeroides Species Rhodobacteraceae Bacteria UNPD*
NPO18636 Hesperocyparis macrocarpa Species Cupressaceae Eukaryota UNPD*
NPO12525 Eriosema chinense Species Fabaceae Eukaryota UNPD*
NPO18674 Juglans regia Species Juglandaceae Eukaryota TM-MC*
NPO25114 Linum usitatissimum Species Linaceae Eukaryota TM-MC*
NPO11588 Astragalus sevangensis Species Fabaceae Eukaryota UNPD*
NPO27241 Prunus tomentosa Species Rosaceae Eukaryota UNPD*
NPO20730 Alchornea hirtella Species Euphorbiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition = 58 % 18818073
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition = 41 % 18818073
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition = 31 % 18818073
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition = 21 % 18818073
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition = 23 % 18818073
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition = 14 % 18818073
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition = 15 % 18818073
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC > 128 ug/ml 18818073
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 128 ug/ml 18818073

  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 NPC304309 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 NPC288035
1.0 High Similarity NPC134847
1.0 High Similarity NPC162742
1.0 High Similarity NPC22105
1.0 High Similarity NPC136188
1.0 High Similarity NPC285893
1.0 High Similarity NPC230301
1.0 High Similarity NPC28657
0.9857 High Similarity NPC107059
0.9857 High Similarity NPC240604
0.9857 High Similarity NPC113733
0.9857 High Similarity NPC300324
0.9857 High Similarity NPC321381
0.9857 High Similarity NPC321016
0.9718 High Similarity NPC34019
0.9718 High Similarity NPC198968
0.9718 High Similarity NPC318495
0.9718 High Similarity NPC155986
0.9714 High Similarity NPC257347
0.9714 High Similarity NPC471723
0.9714 High Similarity NPC141071
0.9583 High Similarity NPC477522
0.9583 High Similarity NPC18603
0.9583 High Similarity NPC307965
0.9583 High Similarity NPC76931
0.9583 High Similarity NPC473943
0.9583 High Similarity NPC474216
0.9583 High Similarity NPC87604
0.9577 High Similarity NPC134330
0.9577 High Similarity NPC189883
0.9577 High Similarity NPC129165
0.9452 High Similarity NPC328714
0.9452 High Similarity NPC81306
0.9452 High Similarity NPC84694
0.9452 High Similarity NPC28862
0.9452 High Similarity NPC109546
0.9452 High Similarity NPC47982
0.9452 High Similarity NPC143182
0.9324 High Similarity NPC209944
0.9324 High Similarity NPC26117
0.9324 High Similarity NPC234193
0.9324 High Similarity NPC241290
0.9324 High Similarity NPC164840
0.9315 High Similarity NPC275910
0.9306 High Similarity NPC202642
0.9306 High Similarity NPC96319
0.9306 High Similarity NPC244488
0.9306 High Similarity NPC470362
0.9306 High Similarity NPC237460
0.9306 High Similarity NPC46160
0.9306 High Similarity NPC247325
0.92 High Similarity NPC474731
0.92 High Similarity NPC264245
0.92 High Similarity NPC474759
0.92 High Similarity NPC47761
0.92 High Similarity NPC7505
0.92 High Similarity NPC474531
0.92 High Similarity NPC23852
0.92 High Similarity NPC474683
0.92 High Similarity NPC474752
0.92 High Similarity NPC82986
0.92 High Similarity NPC470383
0.92 High Similarity NPC209620
0.9189 High Similarity NPC1319
0.9189 High Similarity NPC209430
0.9189 High Similarity NPC30986
0.9178 High Similarity NPC214570
0.9167 High Similarity NPC322353
0.9167 High Similarity NPC118508
0.9167 High Similarity NPC121744
0.9155 High Similarity NPC471799
0.9155 High Similarity NPC474140
0.913 High Similarity NPC160209
0.913 High Similarity NPC208999
0.9079 High Similarity NPC5985
0.9079 High Similarity NPC50964
0.9079 High Similarity NPC101462
0.9079 High Similarity NPC189972
0.9079 High Similarity NPC49964
0.9079 High Similarity NPC470614
0.9079 High Similarity NPC1272
0.9067 High Similarity NPC236112
0.9054 High Similarity NPC477514
0.9054 High Similarity NPC138621
0.9054 High Similarity NPC205455
0.9054 High Similarity NPC6978
0.9054 High Similarity NPC85346
0.9054 High Similarity NPC167037
0.9054 High Similarity NPC186191
0.9054 High Similarity NPC285761
0.9054 High Similarity NPC302041
0.9054 High Similarity NPC65897
0.9054 High Similarity NPC244385
0.9041 High Similarity NPC73875
0.9028 High Similarity NPC469533
0.9028 High Similarity NPC471797
0.9028 High Similarity NPC469534
0.9028 High Similarity NPC469593
0.8961 High Similarity NPC317458
0.8961 High Similarity NPC474634
0.8961 High Similarity NPC475789
0.8933 High Similarity NPC273410
0.8933 High Similarity NPC80530
0.8904 High Similarity NPC471468
0.8889 High Similarity NPC182717
0.8889 High Similarity NPC201373
0.8873 High Similarity NPC145498
0.8873 High Similarity NPC475728
0.8846 High Similarity NPC185568
0.8846 High Similarity NPC205845
0.8846 High Similarity NPC209802
0.8846 High Similarity NPC124172
0.8846 High Similarity NPC33913
0.8846 High Similarity NPC472265
0.8846 High Similarity NPC59453
0.8846 High Similarity NPC221758
0.8831 High Similarity NPC248886
0.8831 High Similarity NPC201852
0.8831 High Similarity NPC470049
0.8831 High Similarity NPC30166
0.8816 High Similarity NPC322313
0.8816 High Similarity NPC102253
0.8816 High Similarity NPC236237
0.8816 High Similarity NPC13554
0.88 High Similarity NPC312328
0.88 High Similarity NPC318136
0.8784 High Similarity NPC106364
0.8767 High Similarity NPC243342
0.8767 High Similarity NPC477138
0.8767 High Similarity NPC329090
0.8767 High Similarity NPC27395
0.8767 High Similarity NPC100334
0.875 High Similarity NPC111234
0.875 High Similarity NPC242001
0.8734 High Similarity NPC274448
0.8734 High Similarity NPC157257
0.8734 High Similarity NPC474189
0.8734 High Similarity NPC266511
0.8734 High Similarity NPC474349
0.8732 High Similarity NPC269877
0.8732 High Similarity NPC167272
0.8714 High Similarity NPC197805
0.8684 High Similarity NPC472463
0.8667 High Similarity NPC471798
0.8649 High Similarity NPC66566
0.8649 High Similarity NPC477923
0.8649 High Similarity NPC328104
0.8649 High Similarity NPC291503
0.8649 High Similarity NPC319090
0.863 High Similarity NPC195489
0.8625 High Similarity NPC31564
0.8625 High Similarity NPC6391
0.8625 High Similarity NPC474778
0.8625 High Similarity NPC145879
0.8625 High Similarity NPC261266
0.8625 High Similarity NPC474732
0.8625 High Similarity NPC477604
0.8625 High Similarity NPC293287
0.8625 High Similarity NPC155011
0.8625 High Similarity NPC24277
0.8625 High Similarity NPC474970
0.8625 High Similarity NPC51014
0.8625 High Similarity NPC94462
0.8625 High Similarity NPC152808
0.8625 High Similarity NPC474733
0.8611 High Similarity NPC45296
0.8611 High Similarity NPC9161
0.8611 High Similarity NPC49422
0.8608 High Similarity NPC470077
0.8608 High Similarity NPC478102
0.8608 High Similarity NPC238485
0.8608 High Similarity NPC474047
0.859 High Similarity NPC20853
0.859 High Similarity NPC87489
0.859 High Similarity NPC296701
0.859 High Similarity NPC151519
0.859 High Similarity NPC218616
0.859 High Similarity NPC202389
0.8571 High Similarity NPC222366
0.8571 High Similarity NPC286669
0.8571 High Similarity NPC476039
0.8553 High Similarity NPC167891
0.8553 High Similarity NPC474989
0.8553 High Similarity NPC83351
0.8553 High Similarity NPC22955
0.8553 High Similarity NPC470396
0.8553 High Similarity NPC99168
0.8553 High Similarity NPC475337
0.8551 High Similarity NPC290367
0.8533 High Similarity NPC120098
0.8533 High Similarity NPC265328
0.8533 High Similarity NPC315261
0.8533 High Similarity NPC290598
0.8533 High Similarity NPC274079
0.8533 High Similarity NPC477925
0.8533 High Similarity NPC122418
0.8533 High Similarity NPC27765
0.8533 High Similarity NPC30590
0.8519 High Similarity NPC58063
0.8519 High Similarity NPC475313

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC304309 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
1.0 High Similarity NPD7339 Approved
1.0 High Similarity NPD6942 Approved
0.9306 High Similarity NPD3701 Clinical (unspecified phase)
0.8846 High Similarity NPD4786 Approved
0.8816 High Similarity NPD7525 Registered
0.8767 High Similarity NPD4784 Approved
0.8767 High Similarity NPD6926 Approved
0.8767 High Similarity NPD4785 Approved
0.8767 High Similarity NPD6924 Approved
0.875 High Similarity NPD4243 Approved
0.875 High Similarity NPD7152 Approved
0.875 High Similarity NPD7150 Approved
0.875 High Similarity NPD7151 Approved
0.8732 High Similarity NPD6922 Approved
0.8732 High Similarity NPD6923 Approved
0.8611 High Similarity NPD7143 Approved
0.8611 High Similarity NPD7144 Approved
0.859 High Similarity NPD3667 Approved
0.8533 High Similarity NPD6933 Approved
0.8293 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.8205 Intermediate Similarity NPD6929 Approved
0.8205 Intermediate Similarity NPD7645 Phase 2
0.8158 Intermediate Similarity NPD5275 Approved
0.8158 Intermediate Similarity NPD4190 Phase 3
0.8101 Intermediate Similarity NPD6930 Phase 2
0.8101 Intermediate Similarity NPD4748 Discontinued
0.8101 Intermediate Similarity NPD6931 Approved
0.8095 Intermediate Similarity NPD5328 Approved
0.7952 Intermediate Similarity NPD3618 Phase 1
0.7949 Intermediate Similarity NPD6925 Approved
0.7949 Intermediate Similarity NPD5776 Phase 2
0.7949 Intermediate Similarity NPD6932 Approved
0.7927 Intermediate Similarity NPD3665 Phase 1
0.7927 Intermediate Similarity NPD3666 Approved
0.7927 Intermediate Similarity NPD3133 Approved
0.7907 Intermediate Similarity NPD6079 Approved
0.7875 Intermediate Similarity NPD7509 Discontinued
0.7848 Intermediate Similarity NPD7145 Approved
0.7816 Intermediate Similarity NPD6399 Phase 3
0.7805 Intermediate Similarity NPD6695 Phase 3
0.775 Intermediate Similarity NPD6683 Phase 2
0.775 Intermediate Similarity NPD4195 Approved
0.7711 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD3668 Phase 3
0.7654 Intermediate Similarity NPD7514 Phase 3
0.7625 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD6893 Approved
0.7614 Intermediate Similarity NPD4202 Approved
0.7561 Intermediate Similarity NPD6902 Approved
0.7529 Intermediate Similarity NPD5279 Phase 3
0.7471 Intermediate Similarity NPD4753 Phase 2
0.747 Intermediate Similarity NPD4221 Approved
0.747 Intermediate Similarity NPD4223 Phase 3
0.7468 Intermediate Similarity NPD8264 Approved
0.7442 Intermediate Similarity NPD7750 Discontinued
0.7442 Intermediate Similarity NPD7524 Approved
0.7439 Intermediate Similarity NPD7332 Phase 2
0.7412 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD5329 Approved
0.7363 Intermediate Similarity NPD4697 Phase 3
0.7363 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD5221 Approved
0.7363 Intermediate Similarity NPD5222 Approved
0.7349 Intermediate Similarity NPD6898 Phase 1
0.7294 Intermediate Similarity NPD4197 Approved
0.7283 Intermediate Similarity NPD5173 Approved
0.7283 Intermediate Similarity NPD4755 Approved
0.7176 Intermediate Similarity NPD4788 Approved
0.7128 Intermediate Similarity NPD5286 Approved
0.7128 Intermediate Similarity NPD4700 Approved
0.7128 Intermediate Similarity NPD4696 Approved
0.7128 Intermediate Similarity NPD5285 Approved
0.7126 Intermediate Similarity NPD4138 Approved
0.7126 Intermediate Similarity NPD4693 Phase 3
0.7126 Intermediate Similarity NPD5205 Approved
0.7126 Intermediate Similarity NPD4689 Approved
0.7126 Intermediate Similarity NPD4690 Approved
0.7126 Intermediate Similarity NPD4688 Approved
0.7126 Intermediate Similarity NPD7521 Approved
0.7126 Intermediate Similarity NPD7334 Approved
0.7126 Intermediate Similarity NPD6684 Approved
0.7126 Intermediate Similarity NPD7146 Approved
0.7126 Intermediate Similarity NPD6409 Approved
0.7126 Intermediate Similarity NPD5330 Approved
0.7111 Intermediate Similarity NPD7087 Discontinued
0.7111 Intermediate Similarity NPD7515 Phase 2
0.7097 Intermediate Similarity NPD6084 Phase 2
0.7097 Intermediate Similarity NPD6083 Phase 2
0.7079 Intermediate Similarity NPD6051 Approved
0.7065 Intermediate Similarity NPD5210 Approved
0.7065 Intermediate Similarity NPD4629 Approved
0.7053 Intermediate Similarity NPD5223 Approved
0.7051 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD7638 Approved
0.7021 Intermediate Similarity NPD5290 Discontinued
0.6988 Remote Similarity NPD3617 Approved
0.6979 Remote Similarity NPD4633 Approved
0.6979 Remote Similarity NPD5224 Approved
0.6979 Remote Similarity NPD5225 Approved
0.6979 Remote Similarity NPD5226 Approved
0.6979 Remote Similarity NPD5211 Phase 2
0.6966 Remote Similarity NPD4723 Approved
0.6966 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6966 Remote Similarity NPD6672 Approved
0.6966 Remote Similarity NPD4722 Approved
0.6966 Remote Similarity NPD5737 Approved
0.6966 Remote Similarity NPD6903 Approved
0.6962 Remote Similarity NPD4787 Phase 1
0.6947 Remote Similarity NPD7640 Approved
0.6947 Remote Similarity NPD7639 Approved
0.6939 Remote Similarity NPD5739 Approved
0.6939 Remote Similarity NPD6675 Approved
0.6939 Remote Similarity NPD6402 Approved
0.6939 Remote Similarity NPD7128 Approved
0.6932 Remote Similarity NPD4694 Approved
0.6932 Remote Similarity NPD5280 Approved
0.6932 Remote Similarity NPD5690 Phase 2
0.6907 Remote Similarity NPD5174 Approved
0.6907 Remote Similarity NPD4754 Approved
0.6907 Remote Similarity NPD5175 Approved
0.6875 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6837 Remote Similarity NPD5141 Approved
0.6824 Remote Similarity NPD4695 Discontinued
0.68 Remote Similarity NPD7320 Approved
0.68 Remote Similarity NPD6881 Approved
0.68 Remote Similarity NPD6899 Approved
0.6774 Remote Similarity NPD7748 Approved
0.6768 Remote Similarity NPD4767 Approved
0.6768 Remote Similarity NPD4768 Approved
0.675 Remote Similarity NPD4747 Approved
0.6744 Remote Similarity NPD4139 Approved
0.6744 Remote Similarity NPD4692 Approved
0.6742 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6098 Approved
0.6739 Remote Similarity NPD8034 Phase 2
0.6739 Remote Similarity NPD8035 Phase 2
0.6739 Remote Similarity NPD7637 Suspended
0.6733 Remote Similarity NPD6372 Approved
0.6733 Remote Similarity NPD6373 Approved
0.6709 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6707 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6702 Remote Similarity NPD5695 Phase 3
0.67 Remote Similarity NPD5697 Approved
0.67 Remote Similarity NPD5701 Approved
0.6667 Remote Similarity NPD342 Phase 1
0.6667 Remote Similarity NPD7290 Approved
0.6667 Remote Similarity NPD7102 Approved
0.6667 Remote Similarity NPD6883 Approved
0.6667 Remote Similarity NPD5696 Approved
0.6634 Remote Similarity NPD5128 Approved
0.6634 Remote Similarity NPD6011 Approved
0.6634 Remote Similarity NPD5168 Approved
0.6634 Remote Similarity NPD4729 Approved
0.6634 Remote Similarity NPD4730 Approved
0.663 Remote Similarity NPD7136 Phase 2
0.6625 Remote Similarity NPD4137 Phase 3
0.6625 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6625 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6847 Approved
0.6602 Remote Similarity NPD8130 Phase 1
0.6602 Remote Similarity NPD6650 Approved
0.6602 Remote Similarity NPD6617 Approved
0.6602 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6649 Approved
0.6602 Remote Similarity NPD6869 Approved
0.6579 Remote Similarity NPD368 Approved
0.6569 Remote Similarity NPD6012 Approved
0.6569 Remote Similarity NPD6014 Approved
0.6569 Remote Similarity NPD6013 Approved
0.6562 Remote Similarity NPD7902 Approved
0.6559 Remote Similarity NPD5281 Approved
0.6559 Remote Similarity NPD5284 Approved
0.6556 Remote Similarity NPD4519 Discontinued
0.6556 Remote Similarity NPD4623 Approved
0.6548 Remote Similarity NPD6117 Approved
0.6543 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6543 Remote Similarity NPD4245 Approved
0.6543 Remote Similarity NPD6939 Phase 2
0.6543 Remote Similarity NPD4244 Approved
0.6543 Remote Similarity NPD4789 Approved
0.6543 Remote Similarity NPD4691 Approved
0.6538 Remote Similarity NPD6882 Approved
0.6538 Remote Similarity NPD8297 Approved
0.6538 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6535 Remote Similarity NPD6412 Phase 2
0.6531 Remote Similarity NPD4159 Approved
0.6522 Remote Similarity NPD6673 Approved
0.6522 Remote Similarity NPD6904 Approved
0.6522 Remote Similarity NPD6080 Approved
0.6506 Remote Similarity NPD5733 Approved
0.6505 Remote Similarity NPD5249 Phase 3
0.6505 Remote Similarity NPD5169 Approved
0.6505 Remote Similarity NPD5248 Approved
0.6505 Remote Similarity NPD5250 Approved
0.6505 Remote Similarity NPD5251 Approved
0.6505 Remote Similarity NPD5247 Approved
0.6505 Remote Similarity NPD5135 Approved
0.6505 Remote Similarity NPD4634 Approved
0.6505 Remote Similarity NPD5134 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5283637
ChEMBL   CHEMBL485421
ZINC  

Physicochemical Properties

Molecular Weight:  400.37
ALogP:  1.9762
MLogP:  4.43
XLogP:  11.026
# Rotatable Bonds:  12
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  29

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Structure MOL file  
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Biological Activities  
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