Natural Product: NPC61473

Natural Product ID:  NPC61473
Common Name:   Alpha-Tocoquinone
IUPAC Name:   2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Synonyms:   Alpha-Tocopherylquinone
Molecular Formula:   C29H50O3
Standard InCHIKey:  LTVDFSLWFKLJDQ-IEOSBIPESA-N
Standard InCHI:  InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
Canonical SMILES:  C[C@H](CCC[C@@H](CCCC(C)C)C)CCC[C@](CCC1=C(C)C(=O)C(=C(C1=O)C)C)(O)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
NPO15311 Cryptocarya chinensis Species Lauraceae Eukaryota Leaves Lai-I, Pingtung County, Taiwan 2005-MAY PMID[20704331]
NPO3521 Geranium collinum Species Geraniaceae Eukaryota UNPD*
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota UNPD*
NPO23456 Palaquium canaliculatum Species Sapotaceae Eukaryota UNPD*
NPO22674 Caulerpa racemosa Species Caulerpaceae Eukaryota PMID[25497963]
NPO6305 Euphorbia jaxartica Species Euphorbiaceae Eukaryota UNPD*
NPO24534 Senecio heliopsis Species Asteraceae Eukaryota UNPD*
NPO22056 Streptomyces roseoverticillatus Species Streptomycetaceae Bacteria UNPD*
NPO32468 tripolium vulgare Species Asteraceae Eukaryota PMID[25981689]
NPO25727 Tabernaemontana divaricata Species Apocynaceae Eukaryota UNPD*
NPO2770 Pyropolyporus fomentarius NA NA NA UNPD*
NPO11277 Baeckea frutescens Species Myrtaceae Eukaryota UNPD*
NPO345 Quercus laurifolia Species Fagaceae Eukaryota UNPD*
NPO14366 Youngia japonica Species Asteraceae Eukaryota UNPD*
NPO4331 Plakortis lita Species Plakinidae Eukaryota UNPD*
NPO25428 Ceriops decandra Species Rhizophoraceae Eukaryota UNPD*
NPO25157 Cymbastela coralliophila Species Axinellidae Eukaryota UNPD*
NPO6615 Aplidium solidum Species Polyclinidae Eukaryota UNPD*
NPO25656 Rhizoctonia repens Species Ceratobasidiaceae Eukaryota UNPD*
NPO2508 Selaginella delicatula Species Selaginellaceae Eukaryota UNPD*
NPO25064 Streptomyces purpurogeneiscleroticus Species Streptomycetaceae Bacteria UNPD*
NPO14885 Lilium rubrum Species Liliaceae Eukaryota UNPD*
NPO5878 Etlingera elatior Species Zingiberaceae Eukaryota UNPD*
NPO12301 Chenopodium quinoa Species Chenopodiaceae Eukaryota UNPD*
NPO21570 Blumea eriantha Species Asteraceae Eukaryota UNPD*
NPO4888 Salvia divaricata Species Lamiaceae Eukaryota UNPD*
NPO15730 Citrus medica Species Rutaceae Eukaryota UNPD*
NPO16242 Phlojodicarpus sibiricus Species Apiaceae Eukaryota UNPD*
NPO25486 Zaluzania grayana Species Asteraceae Eukaryota UNPD*
NPO7573 Psidium araca Species Myrtaceae Eukaryota UNPD*
NPO17104 Pithecellobium racemosum Species Fabaceae Eukaryota UNPD*
NPO11607 Marrubium parviflorum Species Lamiaceae Eukaryota UNPD*
NPO24483 Acrisione denticulata Species Asteraceae Eukaryota UNPD*
NPO23725 Dytiscus marginalis Species Dytiscidae Eukaryota UNPD*
NPO14996 Lobelia syphilitica Species Campanulaceae Eukaryota UNPD*
NPO12296 Sphaerechinus granularis Species Toxopneustidae Eukaryota UNPD*
NPO5844 Schlumbergera truncata Species Cactaceae Eukaryota UNPD*
NPO24251 Taxus drupacea Species Taxaceae Eukaryota UNPD*
NPO8576 Cissus rheifolia Species Vitaceae Eukaryota UNPD*
NPO24442 Calycotome villosa NA NA NA UNPD*
NPO6791 Malva rotundifolia Species Malvaceae Eukaryota UNPD*
NPO2861 Pentaceraster regulus Species Oreasteridae Eukaryota UNPD*
NPO24860 Euphorbia formosana Species Euphorbiaceae Eukaryota UNPD*
NPO25453 Solidago petiolaris Species Asteraceae Eukaryota UNPD*
NPO25578 Chiton tuberculatus Species Chitonidae Eukaryota UNPD*
NPO26228 Phymatopteris hastata Species Polypodiaceae Eukaryota UNPD*
NPO134 Cassia artemisioides Species Fabaceae Eukaryota UNPD*
NPO16090 Panicum crus-galli Species Poaceae Eukaryota UNPD*
NPO24903 Diplazium esculentum Species Athyriaceae Eukaryota UNPD*
NPO9215 Papaver glaucum Species Papaveraceae Eukaryota UNPD*
NPO24574 Berberis orthobotrys Species Berberidaceae Eukaryota UNPD*
NPO22863 Littorina littorea Species Littorinidae Eukaryota UNPD*
NPO13241 Coprosma foetidissima Species Rubiaceae Eukaryota UNPD*
NPO11833 Dyssodia anthemidifolia Species Asteraceae Eukaryota UNPD*
NPO25119 Euonymus laxiflorus Species Celastraceae Eukaryota UNPD*
NPO3331 Hedysarum sachalinense Species Fabaceae Eukaryota UNPD*
NPO23336 Cladonia impexa Species Cladoniaceae Eukaryota UNPD*
NPO19263 Bulbinella floribunda Species Asphodelaceae Eukaryota UNPD*
NPO14387 Dalbergia ecastaphyllum Species Fabaceae Eukaryota UNPD*
NPO24149 Paracoccus denitrificans Species Rhodobacteraceae Bacteria UNPD*
NPO15311 Cryptocarya chinensis Species Lauraceae Eukaryota UNPD*
NPO25244 Scopolia atropoides Species Solanaceae Eukaryota UNPD*
NPO2749 Baccharis dracunculifolia Species Asteraceae Eukaryota UNPD*
NPO4367 Actinobacillus equuli Species Pasteurellaceae Bacteria UNPD*
NPO20068 Fusarium striatum Species Nectriaceae Eukaryota UNPD*
NPO25377 Ocimum gratissimum Species Lamiaceae Eukaryota UNPD*
NPO5582 Inocybe aeruginascens Species Inocybaceae Eukaryota UNPD*
NPO6229 Chenopodiastrum murale Species Chenopodiaceae Eukaryota UNPD*
NPO11134 Himalaiella deltoidea Species Asteraceae Eukaryota UNPD*
NPO25608 Zanthoxylum acutifolium Species Rutaceae Eukaryota UNPD*
NPO13929 Hypocrella bambusae Species Clavicipitaceae Eukaryota UNPD*
NPO8247 Austrobaileya scandens Species Austrobaileyaceae Eukaryota UNPD*
NPO12818 Lespedeza maximowiczi Species Fabaceae Eukaryota UNPD*
NPO24666 Codium dwarkense Species Codiaceae Eukaryota UNPD*
NPO25517 Colladonia triquetra NA NA NA UNPD*
NPO25126 Sarcophyton latum Species Orchidaceae Eukaryota UNPD*
NPO24710 Achillea biebersteinii Species Asteraceae Eukaryota UNPD*
NPO4437 Hymenoxys lemmoni Species Asteraceae Eukaryota UNPD*
NPO7036 Davidsonia pruriens Species Cunoniaceae Eukaryota UNPD*
NPO8632 Aralia hispida Species Araliaceae Eukaryota UNPD*
NPO14223 Harpullia cupanioides Species Sapindaceae Eukaryota UNPD*
NPO22536 Cladosporium cucumerinum Species Cladosporiaceae Eukaryota UNPD*
NPO4071 Cytisus uniflorus Species Fabaceae Eukaryota UNPD*
NPO13755 Gonotheca helianthoides NA NA NA UNPD*
NPO23525 Physalis sordida Species Solanaceae Eukaryota UNPD*
NPO14344 Trifolium diffusum Species Fabaceae Eukaryota UNPD*
NPO24325 Ilex brevicuspis Species Aquifoliaceae Eukaryota UNPD*
NPO1462 Amomum sulcatum Species Zingiberaceae Eukaryota UNPD*
NPO16174 Scleropyrum wallichianum Species Cervantesiaceae Eukaryota UNPD*
NPO10936 Andira retusa Species Fabaceae Eukaryota UNPD*
NPO14485 Eriocephalus kingesii Species Asteraceae Eukaryota UNPD*
NPO6053 Veronica intercedens Species Plantaginaceae Eukaryota UNPD*
NPO5040 Polygonatum polyanthemum Species Asparagaceae Eukaryota UNPD*
NPO14639 Balanophora polyandra Species Balanophoraceae Eukaryota UNPD*
NPO1202 Psathyrotes ramosissima Species Asteraceae Eukaryota UNPD*
NPO23219 Lactarius sanguifluus Species Russulaceae Eukaryota UNPD*
NPO1927 Isodon eriocalyx Species Lamiaceae Eukaryota UNPD*
NPO25063 Ongokea gore Species Aptandraceae Eukaryota UNPD*
NPO15810 Zea mays Species Poaceae Eukaryota TCMID*
NPO13631 Microglossa pyrifolia Species Asteraceae Eukaryota UNPD*
NPO12064 Lychnophora pinaster Species Asteraceae Eukaryota UNPD*
NPO14086 Parthenium confertum Species Asteraceae Eukaryota UNPD*
NPO25344 Caryocar villosum Species Caryocaraceae Eukaryota UNPD*
NPO25206 Cucurbita moschata Species Cucurbitaceae Eukaryota UNPD*
NPO15098 Cyttaria johowii Species Cyttariaceae Eukaryota UNPD*
NPO13040 Veretillum cynomorium Species Veretillidae Eukaryota UNPD*
NPO25401 Glochidion philippicum Species Phyllanthaceae Eukaryota UNPD*
NPO15911 Streptomyces graminofaciens Species Streptomycetaceae Bacteria UNPD*
NPO25687 Archidendron ellipticum Species Fabaceae Eukaryota UNPD*
NPO6241 Girgensohnia oppositiflora Species Chenopodiaceae Eukaryota UNPD*
NPO7401 Centaurea dealbata Species Asteraceae Eukaryota UNPD*
NPO23583 Taonia australasica Species Dictyotaceae Eukaryota UNPD*
NPO2075 Zanthoxylum ocumarense Species Rutaceae Eukaryota UNPD*
NPO22012 Cipadessa fruticosa Species Meliaceae Eukaryota UNPD*
NPO20636 Myoporum platycarpum Species Scrophulariaceae Eukaryota UNPD*
NPO1946 Veronica stricta Species Plantaginaceae Eukaryota UNPD*
NPO27884 Sphacelaria arctica Species Sphacelariaceae Eukaryota UNPD*
NPO772 Bosistoa floydii Species Rutaceae Eukaryota UNPD*
NPO25067 Sanicula epipactis Species Apiaceae Eukaryota UNPD*
NPO25632 Sarcophyton buitendijki Species Alcyoniidae Eukaryota UNPD*
NPO7878 Lysastrosoma anthosticta NA NA NA UNPD*
NPO569 Micromelum integerrimum Species Rutaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 > 50000 nM 20704331
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 37300 nM 20704331
NPT395 Cell Line SF-268 Homo sapiens IC50 > 50000 nM 20704331
NPT2 Others Unspecified EC50 = 36 nM 22137789
NPT2 Others Unspecified GI50 >= 300000 nM 22137789
NPT2 Others Unspecified Ratio EC50 = 200 22137789
NPT2 Others Unspecified Ratio EC50 = 35 22137789
NPT2 Others Unspecified Ratio EC50 = 7 22137789
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 25 ug/ml 22280816
NPT1210 Individual Protein T-cell protein-tyrosine phosphatase Homo sapiens IC50 = 35090 nM 25497963
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 3850 nM 25497963
NPT205 Individual Protein Protein-tyrosine phosphatase 1C Homo sapiens Inhibition < 50 % 25497963
NPT206 Individual Protein Protein-tyrosine phosphatase 2C Homo sapiens Inhibition < 50 % 25497963
NPT1870 Individual Protein Receptor-type tyrosine-protein phosphatase F (LAR) Homo sapiens Inhibition < 50 % 25497963
NPT2 Others Unspecified IC50 = 45000 nM 25497963
NPT81 Cell Line A549 Homo sapiens IC50 = 85300 nM 25497963
NPT911 Individual Protein Dual specificity phosphatase Cdc25B Homo sapiens IC50 = 23230 nM 25497963

  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 NPC61473 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
0.9375 High Similarity NPC469914
0.8 Intermediate Similarity NPC144627
0.7941 Intermediate Similarity NPC278895
0.7879 Intermediate Similarity NPC477707
0.7838 Intermediate Similarity NPC275494
0.7838 Intermediate Similarity NPC471409
0.7778 Intermediate Similarity NPC470299
0.7746 Intermediate Similarity NPC469737
0.7681 Intermediate Similarity NPC476626
0.7647 Intermediate Similarity NPC474329
0.7647 Intermediate Similarity NPC474304
0.7639 Intermediate Similarity NPC300940
0.7639 Intermediate Similarity NPC247586
0.7606 Intermediate Similarity NPC280256
0.76 Intermediate Similarity NPC476808
0.7571 Intermediate Similarity NPC477452
0.7568 Intermediate Similarity NPC92080
0.7568 Intermediate Similarity NPC124289
0.7568 Intermediate Similarity NPC239758
0.7568 Intermediate Similarity NPC25908
0.7568 Intermediate Similarity NPC141346
0.7568 Intermediate Similarity NPC186554
0.7568 Intermediate Similarity NPC473437
0.7568 Intermediate Similarity NPC472305
0.7568 Intermediate Similarity NPC115719
0.7568 Intermediate Similarity NPC142759
0.7568 Intermediate Similarity NPC76966
0.7536 Intermediate Similarity NPC197089
0.7532 Intermediate Similarity NPC44963
0.7532 Intermediate Similarity NPC472684
0.75 Intermediate Similarity NPC84790
0.75 Intermediate Similarity NPC7029
0.7468 Intermediate Similarity NPC251170
0.7468 Intermediate Similarity NPC476412
0.7467 Intermediate Similarity NPC266193
0.7467 Intermediate Similarity NPC165711
0.7467 Intermediate Similarity NPC257666
0.7467 Intermediate Similarity NPC34110
0.7432 Intermediate Similarity NPC114236
0.7432 Intermediate Similarity NPC251435
0.7432 Intermediate Similarity NPC175079
0.7432 Intermediate Similarity NPC474011
0.7403 Intermediate Similarity NPC279667
0.7403 Intermediate Similarity NPC476809
0.7403 Intermediate Similarity NPC18955
0.7403 Intermediate Similarity NPC74445
0.7403 Intermediate Similarity NPC2482
0.7403 Intermediate Similarity NPC287817
0.7368 Intermediate Similarity NPC207772
0.7368 Intermediate Similarity NPC74410
0.7368 Intermediate Similarity NPC30321
0.7368 Intermediate Similarity NPC62336
0.7361 Intermediate Similarity NPC173321
0.7353 Intermediate Similarity NPC143168
0.7353 Intermediate Similarity NPC477830
0.7353 Intermediate Similarity NPC53109
0.7342 Intermediate Similarity NPC64600
0.7342 Intermediate Similarity NPC110150
0.7342 Intermediate Similarity NPC66764
0.7333 Intermediate Similarity NPC470525
0.7333 Intermediate Similarity NPC180886
0.7333 Intermediate Similarity NPC151622
0.7333 Intermediate Similarity NPC7629
0.7333 Intermediate Similarity NPC469646
0.7333 Intermediate Similarity NPC263582
0.7324 Intermediate Similarity NPC476614
0.7317 Intermediate Similarity NPC269677
0.7313 Intermediate Similarity NPC40206
0.7308 Intermediate Similarity NPC477372
0.7308 Intermediate Similarity NPC189237
0.7308 Intermediate Similarity NPC278459
0.7308 Intermediate Similarity NPC478262
0.7308 Intermediate Similarity NPC119229
0.7308 Intermediate Similarity NPC473217
0.7308 Intermediate Similarity NPC471898
0.7297 Intermediate Similarity NPC7382
0.7273 Intermediate Similarity NPC192329
0.7273 Intermediate Similarity NPC32758
0.7273 Intermediate Similarity NPC469617
0.7273 Intermediate Similarity NPC301769
0.7246 Intermediate Similarity NPC234767
0.7237 Intermediate Similarity NPC471061
0.7237 Intermediate Similarity NPC97377
0.7237 Intermediate Similarity NPC197659
0.7229 Intermediate Similarity NPC472973
0.7222 Intermediate Similarity NPC10758
0.7222 Intermediate Similarity NPC67608
0.7222 Intermediate Similarity NPC250928
0.7215 Intermediate Similarity NPC129080
0.7215 Intermediate Similarity NPC302661
0.7215 Intermediate Similarity NPC477269
0.7215 Intermediate Similarity NPC193347
0.7215 Intermediate Similarity NPC238991
0.7215 Intermediate Similarity NPC477271
0.7215 Intermediate Similarity NPC469325
0.7215 Intermediate Similarity NPC477270
0.72 Intermediate Similarity NPC89374
0.7195 Intermediate Similarity NPC476409
0.7195 Intermediate Similarity NPC471792
0.7183 Intermediate Similarity NPC263161
0.7179 Intermediate Similarity NPC26139
0.7179 Intermediate Similarity NPC103634
0.7179 Intermediate Similarity NPC108955
0.7179 Intermediate Similarity NPC469637
0.716 Intermediate Similarity NPC469948
0.716 Intermediate Similarity NPC473038
0.7143 Intermediate Similarity NPC80088
0.7143 Intermediate Similarity NPC179028
0.7143 Intermediate Similarity NPC253561
0.7143 Intermediate Similarity NPC231739
0.7143 Intermediate Similarity NPC478247
0.7143 Intermediate Similarity NPC475994
0.7143 Intermediate Similarity NPC19443
0.7143 Intermediate Similarity NPC189485
0.7143 Intermediate Similarity NPC178852
0.7143 Intermediate Similarity NPC478246
0.7143 Intermediate Similarity NPC321514
0.7125 Intermediate Similarity NPC476082
0.7125 Intermediate Similarity NPC278648
0.7125 Intermediate Similarity NPC258985
0.7125 Intermediate Similarity NPC102197
0.7125 Intermediate Similarity NPC53733
0.7108 Intermediate Similarity NPC131470
0.7108 Intermediate Similarity NPC475001
0.7108 Intermediate Similarity NPC143767
0.7108 Intermediate Similarity NPC185059
0.7108 Intermediate Similarity NPC143025
0.7105 Intermediate Similarity NPC271070
0.7105 Intermediate Similarity NPC182848
0.7089 Intermediate Similarity NPC55869
0.7089 Intermediate Similarity NPC275766
0.7089 Intermediate Similarity NPC171665
0.7089 Intermediate Similarity NPC121984
0.7089 Intermediate Similarity NPC136150
0.7089 Intermediate Similarity NPC226068
0.7089 Intermediate Similarity NPC225515
0.7083 Intermediate Similarity NPC146376
0.7083 Intermediate Similarity NPC125578
0.7083 Intermediate Similarity NPC263382
0.7073 Intermediate Similarity NPC475181
0.7073 Intermediate Similarity NPC229717
0.7059 Intermediate Similarity NPC248913
0.7059 Intermediate Similarity NPC472975
0.7059 Intermediate Similarity NPC472978
0.7051 Intermediate Similarity NPC215843
0.7051 Intermediate Similarity NPC477371
0.7051 Intermediate Similarity NPC622
0.7051 Intermediate Similarity NPC254996
0.7051 Intermediate Similarity NPC308038
0.7051 Intermediate Similarity NPC229204
0.7051 Intermediate Similarity NPC66677
0.7051 Intermediate Similarity NPC471890
0.7051 Intermediate Similarity NPC84185
0.7051 Intermediate Similarity NPC231431
0.7051 Intermediate Similarity NPC276647
0.7051 Intermediate Similarity NPC82488
0.7051 Intermediate Similarity NPC268502
0.7051 Intermediate Similarity NPC308545
0.7051 Intermediate Similarity NPC281138
0.7042 Intermediate Similarity NPC166791
0.7042 Intermediate Similarity NPC137163
0.7042 Intermediate Similarity NPC103734
0.7042 Intermediate Similarity NPC322035
0.7042 Intermediate Similarity NPC100719
0.7037 Intermediate Similarity NPC144258
0.7037 Intermediate Similarity NPC85774
0.7037 Intermediate Similarity NPC40687
0.7037 Intermediate Similarity NPC96095
0.7037 Intermediate Similarity NPC473246
0.7037 Intermediate Similarity NPC9868
0.7037 Intermediate Similarity NPC214043
0.7031 Intermediate Similarity NPC474141
0.7027 Intermediate Similarity NPC288667
0.7027 Intermediate Similarity NPC29328
0.7027 Intermediate Similarity NPC160817
0.7024 Intermediate Similarity NPC86319
0.7024 Intermediate Similarity NPC275740
0.7024 Intermediate Similarity NPC123912
0.7013 Intermediate Similarity NPC472014
0.7013 Intermediate Similarity NPC325946
0.7013 Intermediate Similarity NPC266124
0.7013 Intermediate Similarity NPC276769
0.7 Intermediate Similarity NPC103486
0.7 Intermediate Similarity NPC20262
0.7 Intermediate Similarity NPC320514
0.7 Intermediate Similarity NPC256750
0.7 Intermediate Similarity NPC150162
0.7 Intermediate Similarity NPC133844
0.6988 Remote Similarity NPC99909
0.6988 Remote Similarity NPC197333
0.6988 Remote Similarity NPC136948
0.6986 Remote Similarity NPC261398
0.6986 Remote Similarity NPC477448
0.6986 Remote Similarity NPC477449
0.6977 Remote Similarity NPC477436
0.6977 Remote Similarity NPC477435
0.6974 Remote Similarity NPC77501
0.6974 Remote Similarity NPC216791
0.6974 Remote Similarity NPC472256
0.6962 Remote Similarity NPC138492

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC61473 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 NPD7341 Phase 2
0.9206 High Similarity NPD7331 Phase 2
0.7436 Intermediate Similarity NPD4800 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD3617 Approved
0.7353 Intermediate Similarity NPD2664 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD4221 Approved
0.7215 Intermediate Similarity NPD4223 Phase 3
0.7179 Intermediate Similarity NPD4695 Discontinued
0.716 Intermediate Similarity NPD5329 Approved
0.7042 Intermediate Similarity NPD3704 Approved
0.7037 Intermediate Similarity NPD4197 Approved
0.7024 Intermediate Similarity NPD5328 Approved
0.6875 Remote Similarity NPD4139 Approved
0.6875 Remote Similarity NPD4692 Approved
0.6867 Remote Similarity NPD5280 Approved
0.6867 Remote Similarity NPD4623 Approved
0.6867 Remote Similarity NPD4519 Discontinued
0.6867 Remote Similarity NPD4138 Approved
0.6867 Remote Similarity NPD4688 Approved
0.6867 Remote Similarity NPD5205 Approved
0.6867 Remote Similarity NPD5690 Phase 2
0.6867 Remote Similarity NPD4694 Approved
0.6867 Remote Similarity NPD4689 Approved
0.6867 Remote Similarity NPD4690 Approved
0.6867 Remote Similarity NPD4693 Phase 3
0.6867 Remote Similarity NPD3574 Clinical (unspecified phase)
0.686 Remote Similarity NPD6079 Approved
0.6829 Remote Similarity NPD3666 Approved
0.6829 Remote Similarity NPD3665 Phase 1
0.6829 Remote Similarity NPD3133 Approved
0.6818 Remote Similarity NPD4627 Clinical (unspecified phase)
0.6706 Remote Similarity NPD4518 Approved
0.6667 Remote Similarity NPD5279 Phase 3
0.6667 Remote Similarity NPD3618 Phase 1
0.6628 Remote Similarity NPD4753 Phase 2
0.6628 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6627 Remote Similarity NPD4786 Approved
0.6588 Remote Similarity NPD3573 Approved
0.6585 Remote Similarity NPD3667 Approved
0.6575 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6552 Remote Similarity NPD4096 Approved
0.6543 Remote Similarity NPD5368 Approved
0.6484 Remote Similarity NPD4755 Approved
0.6477 Remote Similarity NPD5281 Approved
0.6477 Remote Similarity NPD7515 Phase 2
0.6477 Remote Similarity NPD5284 Approved
0.6437 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6437 Remote Similarity NPD6101 Approved
0.642 Remote Similarity NPD4195 Approved
0.6418 Remote Similarity NPD3196 Approved
0.6418 Remote Similarity NPD4266 Approved
0.6418 Remote Similarity NPD615 Clinical (unspecified phase)
0.6418 Remote Similarity NPD3195 Phase 2
0.6418 Remote Similarity NPD3194 Approved
0.6404 Remote Similarity NPD5133 Approved
0.6404 Remote Similarity NPD4202 Approved
0.6386 Remote Similarity NPD6435 Approved
0.6374 Remote Similarity NPD5222 Approved
0.6374 Remote Similarity NPD7614 Phase 1
0.6374 Remote Similarity NPD5221 Approved
0.6374 Remote Similarity NPD4697 Phase 3
0.6374 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6344 Remote Similarity NPD5286 Approved
0.6344 Remote Similarity NPD4696 Approved
0.6344 Remote Similarity NPD4700 Approved
0.6344 Remote Similarity NPD5285 Approved
0.6341 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6333 Remote Similarity NPD7748 Approved
0.6316 Remote Similarity NPD4137 Phase 3
0.631 Remote Similarity NPD4788 Approved
0.6304 Remote Similarity NPD6083 Phase 2
0.6304 Remote Similarity NPD6084 Phase 2
0.6304 Remote Similarity NPD5173 Approved
0.6292 Remote Similarity NPD6411 Approved
0.6279 Remote Similarity NPD6409 Approved
0.6279 Remote Similarity NPD7146 Approved
0.6279 Remote Similarity NPD5330 Approved
0.6279 Remote Similarity NPD7521 Approved
0.6279 Remote Similarity NPD6684 Approved
0.6279 Remote Similarity NPD7334 Approved
0.6277 Remote Similarity NPD5223 Approved
0.6269 Remote Similarity NPD3172 Approved
0.6265 Remote Similarity NPD5369 Approved
0.6264 Remote Similarity NPD4629 Approved
0.6264 Remote Similarity NPD5210 Approved
0.6264 Remote Similarity NPD5695 Phase 3
0.625 Remote Similarity NPD6904 Approved
0.625 Remote Similarity NPD6673 Approved
0.625 Remote Similarity NPD6080 Approved
0.6234 Remote Similarity NPD4691 Approved
0.6234 Remote Similarity NPD4747 Approved
0.6222 Remote Similarity NPD5779 Approved
0.6222 Remote Similarity NPD5778 Approved
0.6211 Remote Similarity NPD5211 Phase 2
0.6211 Remote Similarity NPD5224 Approved
0.6211 Remote Similarity NPD5226 Approved
0.6211 Remote Similarity NPD4633 Approved
0.6211 Remote Similarity NPD5225 Approved
0.6203 Remote Similarity NPD5733 Approved
0.619 Remote Similarity NPD634 Phase 3
0.6186 Remote Similarity NPD6675 Approved
0.6186 Remote Similarity NPD7128 Approved
0.6186 Remote Similarity NPD6402 Approved
0.6186 Remote Similarity NPD5739 Approved
0.6173 Remote Similarity NPD4756 Discovery
0.6163 Remote Similarity NPD1696 Phase 3
0.6163 Remote Similarity NPD5363 Approved
0.6154 Remote Similarity NPD5282 Discontinued
0.6154 Remote Similarity NPD5276 Approved
0.6146 Remote Similarity NPD4754 Approved
0.6146 Remote Similarity NPD5175 Approved
0.6146 Remote Similarity NPD5174 Approved
0.6136 Remote Similarity NPD5737 Approved
0.6136 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6136 Remote Similarity NPD5208 Approved
0.6136 Remote Similarity NPD6903 Approved
0.6136 Remote Similarity NPD6672 Approved
0.6129 Remote Similarity NPD7902 Approved
0.6119 Remote Similarity NPD3186 Phase 1
0.6111 Remote Similarity NPD6050 Approved
0.6098 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6092 Remote Similarity NPD5786 Approved
0.6092 Remote Similarity NPD6098 Approved
0.6082 Remote Similarity NPD5141 Approved
0.6064 Remote Similarity NPD5696 Approved
0.6061 Remote Similarity NPD7320 Approved
0.6061 Remote Similarity NPD6881 Approved
0.6061 Remote Similarity NPD6899 Approved
0.6056 Remote Similarity NPD287 Approved
0.6047 Remote Similarity NPD3668 Phase 3
0.6044 Remote Similarity NPD6399 Phase 3
0.602 Remote Similarity NPD4768 Approved
0.602 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD5692 Phase 3
0.6 Remote Similarity NPD6698 Approved
0.6 Remote Similarity NPD6372 Approved
0.6 Remote Similarity NPD4269 Approved
0.6 Remote Similarity NPD4270 Approved
0.6 Remote Similarity NPD5207 Approved
0.6 Remote Similarity NPD4058 Approved
0.6 Remote Similarity NPD4687 Approved
0.6 Remote Similarity NPD46 Approved
0.6 Remote Similarity NPD6373 Approved
0.5978 Remote Similarity NPD5122 Clinical (unspecified phase)
0.5977 Remote Similarity NPD1694 Approved
0.5974 Remote Similarity NPD5360 Phase 3
0.5974 Remote Similarity NPD5361 Clinical (unspecified phase)
0.597 Remote Similarity NPD29 Approved
0.597 Remote Similarity NPD28 Approved
0.596 Remote Similarity NPD5701 Approved
0.596 Remote Similarity NPD5697 Approved
0.5949 Remote Similarity NPD4243 Approved
0.5941 Remote Similarity NPD7102 Approved
0.5941 Remote Similarity NPD7290 Approved
0.5941 Remote Similarity NPD6883 Approved
0.5934 Remote Similarity NPD5694 Approved
0.5934 Remote Similarity NPD5693 Phase 1
0.593 Remote Similarity NPD7154 Phase 3
0.593 Remote Similarity NPD6110 Phase 1
0.593 Remote Similarity NPD5362 Discontinued
0.5926 Remote Similarity NPD8039 Approved
0.5914 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5914 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5909 Remote Similarity NPD6422 Discontinued
0.59 Remote Similarity NPD5128 Approved
0.59 Remote Similarity NPD4729 Approved
0.59 Remote Similarity NPD6011 Approved
0.59 Remote Similarity NPD4730 Approved
0.5882 Remote Similarity NPD6869 Approved
0.5882 Remote Similarity NPD6617 Approved
0.5882 Remote Similarity NPD8130 Phase 1
0.5882 Remote Similarity NPD6847 Approved
0.5882 Remote Similarity NPD6649 Approved
0.5882 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5882 Remote Similarity NPD6650 Approved
0.5876 Remote Similarity NPD5091 Approved
0.5867 Remote Similarity NPD7909 Approved
0.5867 Remote Similarity NPD3197 Phase 1
0.5857 Remote Similarity NPD342 Phase 1
0.5851 Remote Similarity NPD7732 Phase 3
0.5842 Remote Similarity NPD6013 Approved
0.5842 Remote Similarity NPD6012 Approved
0.5842 Remote Similarity NPD6014 Approved
0.5825 Remote Similarity NPD6882 Approved
0.5825 Remote Similarity NPD8297 Approved
0.5824 Remote Similarity NPD5785 Approved
0.5814 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5811 Remote Similarity NPD368 Approved
0.5806 Remote Similarity NPD6001 Approved
0.5806 Remote Similarity NPD7900 Approved
0.5806 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5802 Remote Similarity NPD6926 Approved
0.5802 Remote Similarity NPD4785 Approved
0.5802 Remote Similarity NPD6924 Approved
0.5802 Remote Similarity NPD4784 Approved
0.5789 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5784 Remote Similarity NPD5248 Approved
0.5784 Remote Similarity NPD5247 Approved
0.5784 Remote Similarity NPD5135 Approved
0.5784 Remote Similarity NPD5249 Phase 3

Structure

External Identifiers

PubChem CID   2734086
ChEMBL   CHEMBL1223852
ZINC  

Physicochemical Properties

Molecular Weight:  446.38
ALogP:  3.0732
MLogP:  4.32
XLogP:  8.993
# Rotatable Bonds:  24
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  32

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Biological Activities  
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