Natural Product: NPC29799

Natural Product ID:  NPC29799
Common Name:   Dihydrodehydrodiconiferyl Alcohol
IUPAC Name:   4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
Synonyms:   Dihydrodehydrodiconiferyl Alcohol; Dihydrodehydrodiconiferylalcohol
Molecular Formula:   C20H24O6
Standard InCHIKey:  SBLZVJIHPWRSQQ-BEFAXECRSA-N
Standard InCHI:  InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m1/s1
Canonical SMILES:  OCCCc1cc2c(c(c1)OC)O[C@H]([C@@H]2CO)c1ccc(c(c1)OC)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
NPO27007 Cunonia macrophylla Species Cunoniaceae Eukaryota UNPD*
NPO27312 Citrus tangerina Species Rutaceae Eukaryota UNPD*
NPO27597 Haplophyllum ramosissimum Species Rutaceae Eukaryota UNPD*
NPO27675 Platycarya strobilacea Species Juglandaceae Eukaryota UNPD*
NPO24370 Crassocephalum crepidioides Species Asteraceae Eukaryota UNPD*
NPO149 Heliotropium europaeum Species Heliotropiaceae Eukaryota UNPD*
NPO26882 Swertia swertopsis Species Gentianaceae Eukaryota UNPD*
NPO2304 Byssovorax cruenta Species Polyangiaceae Bacteria UNPD*
NPO27840 Stephania elegans Species Menispermaceae Eukaryota UNPD*
NPO27761 Aspalathus linearis Species Fabaceae Eukaryota UNPD*
NPO27099 Virgilia divaricata Species Fabaceae Eukaryota UNPD*
NPO15610 Citrus trifolia Species Rutaceae Eukaryota UNPD*
NPO4979 Elysia grandifolia Species Placobranchidae Eukaryota UNPD*
NPO5144 Berberis japonica Species Berberidaceae Eukaryota UNPD*
NPO27470 Centaurea huber-morathii Species Asteraceae Eukaryota UNPD*
NPO6645.1 Picea jezoensis var. jezoensis Varieties Pinaceae Eukaryota bark PMID[17907781]
NPO10806 Achillea roseoalba Species Asteraceae Eukaryota UNPD*
NPO9228.1 Narcissus pseudonarcissus subsp. leonensis Subspecies Amaryllidaceae Eukaryota UNPD*
NPO6645.1 Picea jezoensis var. jezoensis Varieties Pinaceae Eukaryota bark PMID[19646881]
NPO3830 Euplotes rariseta Species Euplotidae Eukaryota UNPD*
NPO27696 Anolis lineatopus Species Iguanidae Eukaryota UNPD*
NPO15868 Nostoc spongiaeforme Species Nostocaceae Bacteria UNPD*
NPO15795 Humata pectinata Species Davalliaceae Eukaryota UNPD*
NPO9903 Engelhardia spicata Species Juglandaceae Eukaryota UNPD*
NPO19173 Gleditsia caspica Species Fabaceae Eukaryota UNPD*
NPO27394 Sideritis euboea Species Lamiaceae Eukaryota UNPD*
NPO6717 Viburnum awabuki Species Adoxaceae Eukaryota UNPD*
NPO18100 Physalis edulis Species Solanaceae Eukaryota UNPD*
NPO7935 Strychnos angustiflora Species Loganiaceae Eukaryota UNPD*
NPO27712 Helichrysum mixtum Species Asteraceae Eukaryota UNPD*
NPO2637 Agave rigidissima Species Asparagaceae Eukaryota UNPD*
NPO26969 Sagittaria sagittifolia Species Alismataceae Eukaryota UNPD*
NPO25481 Lonchocarpus oaxacensis Species Fabaceae Eukaryota UNPD*
NPO27419 Aurelia aurita Species Ulmaridae Eukaryota UNPD*
NPO8269 Isodon nervosus Species Lamiaceae Eukaryota UNPD*
NPO8103 Lecanora melanophthalma Species Lecanoraceae Eukaryota UNPD*
NPO27254 Utricularia australis Species Lentibulariaceae Eukaryota UNPD*
NPO6082 Centaurium pulchellum Species Gentianaceae Eukaryota UNPD*
NPO27800 Usnea undulata Species Parmeliaceae Eukaryota UNPD*
NPO27237 Aucuba chinensis Species Garryaceae Eukaryota UNPD*
NPO27076 Aspergillus mutabilis Species Aspergillaceae Eukaryota UNPD*
NPO27290 Carica dodecaphylla Species Caricaceae Eukaryota UNPD*
NPO20357 Millettiae speciosae radix NA NA NA TCMSP*
NPO27215 Gracilaria textorii Species Gracilariaceae Eukaryota UNPD*
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota TM-MC*
NPO29217 Brickellia vernicosa Species Asteraceae Eukaryota UNPD*
NPO276 Miscanthus sacchariflorus Species Poaceae Eukaryota UNPD*
NPO26912 Premna tomentosa Species Lamiaceae Eukaryota UNPD*
NPO17434 Sambucus williamsii Species Adoxaceae Eukaryota TM-MC*
NPO27025 Erylus trisphaerus Species Geodiidae Eukaryota UNPD*
NPO17850 Torreya grandis Species Taxaceae Eukaryota TM-MC*
NPO19202 Phaeolus schweinitzii Species Hymenochaetaceae Eukaryota UNPD*
NPO17491 Torreya nuncifera Species Taxaceae Eukaryota TM-MC*
NPO22520 Felimida luteorosea Species Chromodorididae Eukaryota UNPD*
NPO8404 Isodon xerophilus Species Lamiaceae Eukaryota UNPD*
NPO7060 Ficus ruficaulis Species Moraceae Eukaryota UNPD*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota TCMID*
NPO27274 Amsinckia tessellata Species Boraginaceae Eukaryota UNPD*
NPO5319 Ulmus thomasii Species Ulmaceae Eukaryota UNPD*
NPO5588 Bursera tonkinensis Species Burseraceae Eukaryota TCMID*
NPO27788 Eupatorium areolare Species Asteraceae Eukaryota UNPD*
NPO27440 Osteospermum muricatum Species Asteraceae Eukaryota UNPD*
NPO14449 Cedronella canariensis Species Lamiaceae Eukaryota UNPD*
NPO27525 Saussurea amara Species Asteraceae Eukaryota UNPD*
NPO25349 Bistorta vivipara Species Polygonaceae Eukaryota UNPD*
NPO21919 Polysaccharidum versicolor NA NA NA TCMID*
NPO8911 Aspergillus aculeatus Species Aspergillaceae Eukaryota UNPD*
NPO27376 Curculigo pilosa Species Hypoxidaceae Eukaryota UNPD*
NPO16850 Eucommia ulmoides Species Eucommiaceae Eukaryota TCMID*
NPO27050 Tsuga chinensis Species Pinaceae Eukaryota UNPD*
NPO27064 Taxus brevifolia Species Taxaceae Eukaryota UNPD*
NPO10980 Petasites japonicus Species Asteraceae Eukaryota TCMID*
NPO2476 Lonicera fulvotomentosa Species Caprifoliaceae Eukaryota UNPD*
NPO27138 Entada rheedei Species Fabaceae Eukaryota UNPD*
NPO27453 Trichoderma koningi Species Hypocreaceae Eukaryota UNPD*
NPO6917 Kali turgidum Species Chenopodiaceae Eukaryota UNPD*
NPO7766 Pericopsis schliebenii Species Fabaceae Eukaryota UNPD*
NPO1355 Urechis caupo Species Urechidae Eukaryota UNPD*
NPO27612 Peperomia vulcanica Species Piperaceae Eukaryota UNPD*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota HerDing*
NPO27495 Sisyrinchium californicum Species Iridaceae Eukaryota UNPD*
NPO29241 Macaranga peltata Species Euphorbiaceae Eukaryota UNPD*
NPO27815 Sia ferox Species Stenopelmatidae Eukaryota UNPD*
NPO5588 Bursera tonkinensis Species Burseraceae Eukaryota HerDing*
NPO27640 Sorbus tianschanica Species Rosaceae Eukaryota UNPD*
NPO9698 Parablechnum minus Species Blechnaceae Eukaryota UNPD*
NPO6310 Ruta bracteosa Species Rutaceae Eukaryota UNPD*
NPO27732 Cynometra lujae Species Fabaceae Eukaryota UNPD*
NPO4516 Fasciospongia rimosa Species Thorectidae Eukaryota UNPD*
NPO27576 Lysiana subfalcata Species Loranthaceae Eukaryota UNPD*
NPO27345 Crocus minimus Species Iridaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 344000 nM 17907781
NPT2 Others Unspecified Ratio = 1.8 19646881
NPT71 Cell Line HEK293 Homo sapiens Inhibition = 31.4 % 24018191
NPT81 Cell Line A549 Homo sapiens IC50 > 30000 nM 26988298
NPT2 Others Unspecified IC50 > 30000 nM 26988298
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 > 30000 nM 26988298
NPT574 Cell Line XF498 Homo sapiens IC50 > 30000 nM 26988298
NPT2 Others Unspecified IC50 = 39970 nM 26988298
NPT2 Others Unspecified Activity = 129.33 % 26988298
NPT76 Cell Line C6 Rattus norvegicus Activity = 97.14 % 26988298
NPT76 Cell Line C6 Rattus norvegicus Activity = 105.3 % 26988298

  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 NPC29799 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 NPC477939
1.0 High Similarity NPC156502
1.0 High Similarity NPC54743
1.0 High Similarity NPC10737
1.0 High Similarity NPC177160
1.0 High Similarity NPC263367
1.0 High Similarity NPC209985
0.9845 High Similarity NPC193026
0.9845 High Similarity NPC49603
0.9845 High Similarity NPC187616
0.9767 High Similarity NPC26394
0.9699 High Similarity NPC87725
0.9699 High Similarity NPC471414
0.9699 High Similarity NPC263261
0.969 High Similarity NPC230219
0.9627 High Similarity NPC253878
0.9538 High Similarity NPC18842
0.9535 High Similarity NPC257582
0.9535 High Similarity NPC42300
0.9535 High Similarity NPC187998
0.9535 High Similarity NPC77040
0.9535 High Similarity NPC153739
0.9535 High Similarity NPC242807
0.9535 High Similarity NPC145305
0.9535 High Similarity NPC241522
0.9535 High Similarity NPC174495
0.9535 High Similarity NPC92164
0.9535 High Similarity NPC64201
0.9485 High Similarity NPC474444
0.9485 High Similarity NPC264706
0.9485 High Similarity NPC284881
0.9485 High Similarity NPC93433
0.9481 High Similarity NPC131971
0.9474 High Similarity NPC477938
0.9462 High Similarity NPC277804
0.9457 High Similarity NPC475875
0.9416 High Similarity NPC163898
0.9394 High Similarity NPC16485
0.9394 High Similarity NPC478085
0.9385 High Similarity NPC143483
0.938 High Similarity NPC128208
0.938 High Similarity NPC21867
0.938 High Similarity NPC11258
0.938 High Similarity NPC282703
0.938 High Similarity NPC45774
0.938 High Similarity NPC184733
0.938 High Similarity NPC470084
0.938 High Similarity NPC129570
0.9348 High Similarity NPC260397
0.9343 High Similarity NPC12641
0.9343 High Similarity NPC280092
0.9343 High Similarity NPC45257
0.9343 High Similarity NPC93323
0.9333 High Similarity NPC254759
0.9333 High Similarity NPC309124
0.9333 High Similarity NPC184797
0.9333 High Similarity NPC160283
0.9313 High Similarity NPC228346
0.9313 High Similarity NPC7171
0.9313 High Similarity NPC27843
0.9313 High Similarity NPC115207
0.9313 High Similarity NPC158079
0.9313 High Similarity NPC40432
0.9313 High Similarity NPC161557
0.9302 High Similarity NPC147821
0.9302 High Similarity NPC183181
0.9302 High Similarity NPC118787
0.9302 High Similarity NPC118533
0.9302 High Similarity NPC111247
0.9302 High Similarity NPC98745
0.9302 High Similarity NPC163332
0.9302 High Similarity NPC41706
0.9302 High Similarity NPC319625
0.9302 High Similarity NPC292056
0.9302 High Similarity NPC165045
0.9281 High Similarity NPC31325
0.9281 High Similarity NPC15956
0.9281 High Similarity NPC193473
0.9281 High Similarity NPC275284
0.9281 High Similarity NPC114505
0.9281 High Similarity NPC213074
0.9281 High Similarity NPC224674
0.927 High Similarity NPC47633
0.927 High Similarity NPC85264
0.927 High Similarity NPC102044
0.927 High Similarity NPC477616
0.9265 High Similarity NPC311530
0.9259 High Similarity NPC232164
0.9259 High Similarity NPC236306
0.9259 High Similarity NPC473739
0.9259 High Similarity NPC260741
0.9259 High Similarity NPC292882
0.9259 High Similarity NPC70682
0.9254 High Similarity NPC77861
0.9248 High Similarity NPC287745
0.9242 High Similarity NPC207400
0.9242 High Similarity NPC181049
0.9231 High Similarity NPC472968
0.9225 High Similarity NPC58607
0.9225 High Similarity NPC206882
0.9225 High Similarity NPC191037
0.9225 High Similarity NPC178284
0.9214 High Similarity NPC473408
0.9203 High Similarity NPC63879
0.9197 High Similarity NPC107161
0.9179 High Similarity NPC256262
0.9173 High Similarity NPC158331
0.9173 High Similarity NPC475840
0.916 High Similarity NPC86030
0.916 High Similarity NPC5851
0.9154 High Similarity NPC21563
0.9154 High Similarity NPC5428
0.9147 High Similarity NPC81641
0.9147 High Similarity NPC148627
0.9147 High Similarity NPC194519
0.9143 High Similarity NPC21776
0.9143 High Similarity NPC101376
0.9143 High Similarity NPC16269
0.9137 High Similarity NPC43508
0.9137 High Similarity NPC181615
0.9137 High Similarity NPC476301
0.9124 High Similarity NPC247291
0.9124 High Similarity NPC471389
0.9124 High Similarity NPC35216
0.9111 High Similarity NPC16435
0.9111 High Similarity NPC470802
0.9111 High Similarity NPC306441
0.9111 High Similarity NPC270456
0.9111 High Similarity NPC472334
0.9111 High Similarity NPC162659
0.9111 High Similarity NPC265433
0.9111 High Similarity NPC472336
0.9111 High Similarity NPC248727
0.9104 High Similarity NPC471942
0.9104 High Similarity NPC326095
0.9104 High Similarity NPC67247
0.9104 High Similarity NPC244983
0.9098 High Similarity NPC175067
0.9098 High Similarity NPC4940
0.9098 High Similarity NPC204215
0.9085 High Similarity NPC98624
0.9084 High Similarity NPC72529
0.9084 High Similarity NPC474178
0.9084 High Similarity NPC252307
0.9084 High Similarity NPC245826
0.9078 High Similarity NPC236166
0.9071 High Similarity NPC324492
0.9071 High Similarity NPC317053
0.907 High Similarity NPC48990
0.907 High Similarity NPC109822
0.907 High Similarity NPC114901
0.907 High Similarity NPC293701
0.907 High Similarity NPC94276
0.9065 High Similarity NPC471667
0.9065 High Similarity NPC217635
0.9065 High Similarity NPC79429
0.9065 High Similarity NPC473108
0.9058 High Similarity NPC476356
0.9058 High Similarity NPC41782
0.9058 High Similarity NPC59841
0.9058 High Similarity NPC475891
0.9058 High Similarity NPC2613
0.9058 High Similarity NPC204347
0.9051 High Similarity NPC55793
0.9051 High Similarity NPC27495
0.9051 High Similarity NPC259519
0.9037 High Similarity NPC112939
0.9037 High Similarity NPC112246
0.9037 High Similarity NPC94750
0.9037 High Similarity NPC121812
0.9037 High Similarity NPC47398
0.9037 High Similarity NPC234333
0.9037 High Similarity NPC99572
0.9037 High Similarity NPC61946
0.9037 High Similarity NPC472337
0.9037 High Similarity NPC473413
0.9037 High Similarity NPC470356
0.9037 High Similarity NPC126409
0.9037 High Similarity NPC474206
0.9037 High Similarity NPC101624
0.9037 High Similarity NPC260898
0.9037 High Similarity NPC134968
0.9037 High Similarity NPC93783
0.9037 High Similarity NPC184938
0.903 High Similarity NPC170185
0.9023 High Similarity NPC474017
0.9023 High Similarity NPC472597
0.9007 High Similarity NPC328567
0.9007 High Similarity NPC327412
0.9007 High Similarity NPC320970
0.9007 High Similarity NPC320671
0.9 High Similarity NPC469557
0.9 High Similarity NPC180953
0.8993 High Similarity NPC185307
0.8993 High Similarity NPC470950
0.8993 High Similarity NPC474104
0.8992 High Similarity NPC471693
0.8992 High Similarity NPC473451
0.8992 High Similarity NPC317769
0.8992 High Similarity NPC280704

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC29799 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
0.8872 High Similarity NPD3027 Phase 3
0.8815 High Similarity NPD1613 Approved
0.8815 High Similarity NPD1612 Clinical (unspecified phase)
0.8519 High Similarity NPD1529 Clinical (unspecified phase)
0.8444 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8444 Intermediate Similarity NPD2861 Phase 2
0.8273 Intermediate Similarity NPD4060 Phase 1
0.8261 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD6674 Discontinued
0.8143 Intermediate Similarity NPD3620 Phase 2
0.8143 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.814 Intermediate Similarity NPD5283 Phase 1
0.8116 Intermediate Similarity NPD4908 Phase 1
0.8 Intermediate Similarity NPD1610 Phase 2
0.7984 Intermediate Similarity NPD228 Approved
0.7974 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7956 Intermediate Similarity NPD8651 Approved
0.7917 Intermediate Similarity NPD5588 Approved
0.7908 Intermediate Similarity NPD1934 Approved
0.7885 Intermediate Similarity NPD6234 Discontinued
0.7883 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7868 Intermediate Similarity NPD3705 Approved
0.7847 Intermediate Similarity NPD4538 Approved
0.7847 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7847 Intermediate Similarity NPD4536 Approved
0.7829 Intermediate Similarity NPD3021 Approved
0.7829 Intermediate Similarity NPD3022 Approved
0.7808 Intermediate Similarity NPD5762 Approved
0.7808 Intermediate Similarity NPD5763 Approved
0.7801 Intermediate Similarity NPD4625 Phase 3
0.7792 Intermediate Similarity NPD37 Approved
0.7785 Intermediate Similarity NPD5058 Phase 3
0.777 Intermediate Similarity NPD6331 Phase 2
0.7762 Intermediate Similarity NPD1558 Phase 1
0.7756 Intermediate Similarity NPD3882 Suspended
0.7756 Intermediate Similarity NPD4965 Approved
0.7756 Intermediate Similarity NPD4966 Approved
0.7756 Intermediate Similarity NPD4967 Phase 2
0.7754 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7752 Intermediate Similarity NPD2684 Approved
0.7746 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD7157 Approved
0.7737 Intermediate Similarity NPD1091 Approved
0.7708 Intermediate Similarity NPD5735 Approved
0.7708 Intermediate Similarity NPD6355 Discontinued
0.7704 Intermediate Similarity NPD1548 Phase 1
0.7698 Intermediate Similarity NPD6696 Suspended
0.7674 Intermediate Similarity NPD290 Approved
0.7673 Intermediate Similarity NPD7199 Phase 2
0.7671 Intermediate Similarity NPD5960 Phase 3
0.766 Intermediate Similarity NPD3018 Phase 2
0.7654 Intermediate Similarity NPD7228 Approved
0.7654 Intermediate Similarity NPD3818 Discontinued
0.7652 Intermediate Similarity NPD7843 Approved
0.7647 Intermediate Similarity NPD1653 Approved
0.7647 Intermediate Similarity NPD1357 Approved
0.764 Intermediate Similarity NPD2489 Approved
0.764 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD27 Approved
0.764 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD6166 Phase 2
0.7628 Intermediate Similarity NPD2801 Approved
0.7626 Intermediate Similarity NPD4749 Approved
0.7612 Intermediate Similarity NPD6671 Approved
0.761 Intermediate Similarity NPD5494 Approved
0.76 Intermediate Similarity NPD2677 Approved
0.7584 Intermediate Similarity NPD4236 Phase 3
0.7584 Intermediate Similarity NPD4237 Approved
0.758 Intermediate Similarity NPD2560 Approved
0.758 Intermediate Similarity NPD2563 Approved
0.7578 Intermediate Similarity NPD2970 Approved
0.7578 Intermediate Similarity NPD2969 Approved
0.7568 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD6002 Phase 3
0.7568 Intermediate Similarity NPD6005 Phase 3
0.7568 Intermediate Similarity NPD6004 Phase 3
0.7568 Intermediate Similarity NPD7266 Discontinued
0.7568 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD4110 Phase 3
0.7532 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD2424 Discontinued
0.7516 Intermediate Similarity NPD3051 Approved
0.7516 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2983 Phase 2
0.75 Intermediate Similarity NPD2982 Phase 2
0.75 Intermediate Similarity NPD5844 Phase 1
0.7485 Intermediate Similarity NPD7310 Approved
0.7485 Intermediate Similarity NPD7313 Approved
0.7485 Intermediate Similarity NPD7311 Approved
0.7485 Intermediate Similarity NPD7312 Approved
0.7469 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD3060 Approved
0.7467 Intermediate Similarity NPD5177 Phase 3
0.7465 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD4663 Approved
0.7455 Intermediate Similarity NPD7074 Phase 3
0.745 Intermediate Similarity NPD1375 Discontinued
0.744 Intermediate Similarity NPD7309 Approved
0.7432 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD2981 Phase 2
0.7417 Intermediate Similarity NPD4628 Phase 3
0.7415 Intermediate Similarity NPD6653 Approved
0.7405 Intermediate Similarity NPD2977 Approved
0.7405 Intermediate Similarity NPD2978 Approved
0.7397 Intermediate Similarity NPD4140 Approved
0.7397 Intermediate Similarity NPD2238 Phase 2
0.7394 Intermediate Similarity NPD7054 Approved
0.7394 Intermediate Similarity NPD3094 Phase 2
0.7386 Intermediate Similarity NPD1511 Approved
0.7386 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD2161 Phase 2
0.7381 Intermediate Similarity NPD4577 Approved
0.7381 Intermediate Similarity NPD4578 Approved
0.7379 Intermediate Similarity NPD6798 Discontinued
0.7376 Intermediate Similarity NPD5327 Phase 3
0.7358 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD4162 Approved
0.7349 Intermediate Similarity NPD7472 Approved
0.7347 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD5124 Phase 1
0.7346 Intermediate Similarity NPD8127 Discontinued
0.7343 Intermediate Similarity NPD6584 Phase 3
0.7338 Intermediate Similarity NPD5125 Phase 3
0.7338 Intermediate Similarity NPD4123 Phase 3
0.7338 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD5126 Approved
0.7338 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD6516 Phase 2
0.7338 Intermediate Similarity NPD5846 Approved
0.7328 Intermediate Similarity NPD968 Approved
0.7325 Intermediate Similarity NPD4380 Phase 2
0.732 Intermediate Similarity NPD6666 Approved
0.732 Intermediate Similarity NPD6667 Approved
0.7315 Intermediate Similarity NPD7033 Discontinued
0.731 Intermediate Similarity NPD7906 Approved
0.731 Intermediate Similarity NPD7095 Approved
0.7305 Intermediate Similarity NPD2231 Phase 2
0.7305 Intermediate Similarity NPD2235 Phase 2
0.7303 Intermediate Similarity NPD4535 Phase 3
0.7303 Intermediate Similarity NPD3892 Phase 2
0.7301 Intermediate Similarity NPD6071 Discontinued
0.7297 Intermediate Similarity NPD2157 Approved
0.7296 Intermediate Similarity NPD5773 Approved
0.7296 Intermediate Similarity NPD5772 Approved
0.7296 Intermediate Similarity NPD8455 Phase 2
0.7294 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD52 Approved
0.729 Intermediate Similarity NPD1512 Approved
0.729 Intermediate Similarity NPD7526 Approved
0.7287 Intermediate Similarity NPD291 Approved
0.7284 Intermediate Similarity NPD4666 Phase 3
0.7278 Intermediate Similarity NPD6072 Discontinued
0.7273 Intermediate Similarity NPD1774 Approved
0.7267 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD6559 Discontinued
0.7261 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD3817 Phase 2
0.7246 Intermediate Similarity NPD5536 Phase 2
0.7244 Intermediate Similarity NPD5976 Discontinued
0.7241 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD3092 Approved
0.723 Intermediate Similarity NPD3657 Discovery
0.7226 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5709 Phase 3
0.7222 Intermediate Similarity NPD3691 Phase 2
0.7222 Intermediate Similarity NPD3690 Phase 2
0.7215 Intermediate Similarity NPD4678 Approved
0.7215 Intermediate Similarity NPD4675 Approved
0.7214 Intermediate Similarity NPD4626 Approved
0.7211 Intermediate Similarity NPD6233 Phase 2
0.7211 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD6797 Phase 2
0.7197 Intermediate Similarity NPD3686 Approved
0.7197 Intermediate Similarity NPD3687 Approved
0.7195 Intermediate Similarity NPD6232 Discontinued
0.7188 Intermediate Similarity NPD5929 Approved
0.7183 Intermediate Similarity NPD1608 Approved
0.7181 Intermediate Similarity NPD4097 Suspended
0.7181 Intermediate Similarity NPD6353 Approved
0.7174 Intermediate Similarity NPD7340 Approved
0.7171 Intermediate Similarity NPD7037 Approved
0.7169 Intermediate Similarity NPD7473 Discontinued
0.7163 Intermediate Similarity NPD3496 Discontinued
0.7162 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7041 Phase 2
0.716 Intermediate Similarity NPD7075 Discontinued
0.716 Intermediate Similarity NPD7240 Approved
0.716 Intermediate Similarity NPD7251 Discontinued
0.7152 Intermediate Similarity NPD6032 Approved
0.7152 Intermediate Similarity NPD2935 Discontinued
0.7143 Intermediate Similarity NPD5691 Approved

Structure

External Identifiers

PubChem CID   5274623
ChEMBL   CHEMBL253590
ZINC  

Physicochemical Properties

Molecular Weight:  360.16
ALogP:  -2.1975
MLogP:  3
XLogP:  1.511
# Rotatable Bonds:  12
Polar Surface Area:  88.38
# H-Bond Aceptor:  2
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  26

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Structure MOL file  
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Biological Activities  
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