Natural Product: NPC175771

Natural Product ID:  NPC175771
Common Name:   4-Hydroxybenzyl-Beta-D-Glucopyranoside
IUPAC Name:   (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(4-hydroxyphenyl)methoxy]oxane-3,4,5-triol
Synonyms:  
Molecular Formula:   C13H18O7
Standard InCHIKey:  WGBHVCJJFIVFAL-UJPOAAIJSA-N
Standard InCHI:  InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-1-3-8(15)4-2-7/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO22490 Limeum pterocarpum Species Limeaceae Eukaryota UNPD*
NPO20012 Wunderlichia mirabilis Species Asteraceae Eukaryota UNPD*
NPO18141 Solanum torvum Species Solanaceae Eukaryota UNPD*
NPO21400 Macrocystidia cucumis Species Tricholomataceae Eukaryota UNPD*
NPO21023 Astilbe koreana Species Saxifragaceae Eukaryota UNPD*
NPO22104 Trifolium pratense Species Fabaceae Eukaryota UNPD*
NPO21839 Cymathere triplicata NA NA NA UNPD*
NPO22880 Aspergillus caespitosus Species Aspergillaceae Eukaryota UNPD*
NPO4785 Persicaria thunbergii Species Polygonaceae Eukaryota UNPD*
NPO20508 Ilex kaushue Species Aquifoliaceae Eukaryota UNPD*
NPO17581 Streptomyces fulvoviridis Species Streptomycetaceae Bacteria UNPD*
NPO21460 Anethum graveolens Species Apiaceae Eukaryota TCM_Taiwan*
NPO13106 Rhodomyrtus tomentosa Species Myrtaceae Eukaryota UNPD*
NPO29262 Cranfillia vulcanica Species Blechnaceae Eukaryota UNPD*
NPO20827 Boronia muelleri Species Rutaceae Eukaryota UNPD*
NPO21334 Artemisia dracunculus Species Asteraceae Eukaryota UNPD*
NPO8570 Ficus elastica Species Moraceae Eukaryota UNPD*
NPO33494 atriplex littoralis Species Chenopodiaceae Eukaryota PMID[26290401]
NPO6873 Salvia xalapensis Species Lamiaceae Eukaryota UNPD*
NPO22298 Inula thapsoides Species Asteraceae Eukaryota UNPD*
NPO24658 Dillenia papuana Species Dilleniaceae Eukaryota UNPD*
NPO22746 Salix sieboldiana Species Salicaceae Eukaryota UNPD*
NPO21270 Nerita albicilla Species Neritidae Eukaryota UNPD*
NPO20696 Colchicum macedonicum Species Colchicaceae Eukaryota UNPD*
NPO22689 Cassia carnaval Species Fabaceae Eukaryota UNPD*
NPO20953 Coprosma acerosa Species Rubiaceae Eukaryota UNPD*
NPO19953 Lupinus formosus Species Fabaceae Eukaryota UNPD*
NPO21587 Hypericum papuanum Species Hypericaceae Eukaryota UNPD*
NPO20134 Dicliptera riparia Species Acanthaceae Eukaryota UNPD*
NPO22227 Sambucus ebulus Species Adoxaceae Eukaryota UNPD*
NPO21212 Scrophularia smithii Species Scrophulariaceae Eukaryota UNPD*
NPO21460 Anethum graveolens Species Apiaceae Eukaryota UNPD*
NPO20889 Anastrepha suspensa Species Tephritidae Eukaryota UNPD*
NPO20764 Euphorbia caducifolia Species Euphorbiaceae Eukaryota UNPD*
NPO20045 Burkholderia cepacia Species Burkholderiaceae Bacteria UNPD*
NPO22042 Kaunia arbuscularis Species Asteraceae Eukaryota UNPD*
NPO22551 Trifolium alexandrium Species Fabaceae Eukaryota UNPD*
NPO21470 Conoideocrella tenuis Species Clavicipitaceae Eukaryota UNPD*
NPO10757 Cyanospira rippkae Species Aphanizomenonaceae Bacteria UNPD*
NPO15871 Parmelia enteromorpha Species Parmeliaceae Eukaryota UNPD*
NPO22622 Coptis deltoidea Species Ranunculaceae Eukaryota UNPD*
NPO4771 Tanacetum santolinoides Species Asteraceae Eukaryota UNPD*
NPO20635 Dalbergia frutescens Species Fabaceae Eukaryota UNPD*
NPO19880 Palicourea alpina Species Rubiaceae Eukaryota UNPD*
NPO21079 Actinomadura hibisca Species Thermomonosporaceae Bacteria UNPD*
NPO21775 Zilla spinosa Species Brassicaceae Eukaryota UNPD*
NPO22362 Tylophora flava Species Apocynaceae Eukaryota UNPD*
NPO20316 Hypselodoris cantabrica Species Chromodorididae Eukaryota UNPD*
NPO20077 Posoqueria latifolia Species Rubiaceae Eukaryota UNPD*
NPO20190 Oxandra xylopioides Species Annonaceae Eukaryota UNPD*
NPO19799 Erwinia rhapontici Species Erwiniaceae Bacteria UNPD*
NPO21905 Helianthopsis bishopii NA NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT885 Cell Line PBL Activity = 13.6 % 26290401
NPT885 Cell Line PBL Activity = 13.1 % 26290401
NPT885 Cell Line PBL Activity = 1.7 26290401
NPT885 Cell Line PBL Activity = 1.8 26290401
NPT885 Cell Line PBL Activity = 1.2 26290401
NPT885 Cell Line PBL Activity = 156.4 26290401
NPT885 Cell Line PBL Activity = 155.7 26290401
NPT885 Cell Line PBL Activity = 159.2 26290401
NPT885 Cell Line PBL Activity = 85.5 % 26290401
NPT885 Cell Line PBL Activity = 85.1 % 26290401
NPT885 Cell Line PBL Activity = 87 % 26290401

  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 NPC175771 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
0.9815 High Similarity NPC313193
0.9633 High Similarity NPC157338
0.9459 High Similarity NPC148055
0.9386 High Similarity NPC269242
0.931 High Similarity NPC212176
0.9217 High Similarity NPC469412
0.9217 High Similarity NPC198734
0.9138 High Similarity NPC11724
0.913 High Similarity NPC282409
0.913 High Similarity NPC469708
0.913 High Similarity NPC469702
0.913 High Similarity NPC60589
0.906 High Similarity NPC476142
0.906 High Similarity NPC52097
0.9052 High Similarity NPC476445
0.9052 High Similarity NPC476448
0.9052 High Similarity NPC476872
0.9052 High Similarity NPC469548
0.9052 High Similarity NPC160854
0.9052 High Similarity NPC469703
0.9052 High Similarity NPC201402
0.9052 High Similarity NPC469704
0.8981 High Similarity NPC152384
0.8981 High Similarity NPC37714
0.8974 High Similarity NPC266045
0.8974 High Similarity NPC226712
0.8974 High Similarity NPC55608
0.8974 High Similarity NPC469686
0.8947 High Similarity NPC473556
0.8947 High Similarity NPC301651
0.8898 High Similarity NPC471067
0.8843 High Similarity NPC288416
0.8833 High Similarity NPC126991
0.8833 High Similarity NPC83218
0.8824 High Similarity NPC470907
0.8824 High Similarity NPC232454
0.8824 High Similarity NPC178449
0.876 High Similarity NPC471157
0.876 High Similarity NPC252114
0.875 High Similarity NPC287429
0.8718 High Similarity NPC477803
0.871 High Similarity NPC225384
0.871 High Similarity NPC138777
0.871 High Similarity NPC248307
0.871 High Similarity NPC246869
0.871 High Similarity NPC65942
0.8699 High Similarity NPC166040
0.8699 High Similarity NPC307110
0.8689 High Similarity NPC156692
0.8689 High Similarity NPC471882
0.8689 High Similarity NPC173150
0.8689 High Similarity NPC471881
0.8689 High Similarity NPC106677
0.8689 High Similarity NPC35288
0.8689 High Similarity NPC45224
0.8678 High Similarity NPC90318
0.8678 High Similarity NPC470510
0.8661 High Similarity NPC276061
0.8661 High Similarity NPC474148
0.864 High Similarity NPC254275
0.8618 High Similarity NPC232880
0.8618 High Similarity NPC225307
0.8618 High Similarity NPC40377
0.8607 High Similarity NPC61181
0.8596 High Similarity NPC153795
0.8596 High Similarity NPC290353
0.8596 High Similarity NPC42911
0.8584 High Similarity NPC264784
0.8584 High Similarity NPC30563
0.8571 High Similarity NPC6836
0.8571 High Similarity NPC114116
0.856 High Similarity NPC235294
0.856 High Similarity NPC121376
0.856 High Similarity NPC478255
0.856 High Similarity NPC46137
0.8548 High Similarity NPC477293
0.8548 High Similarity NPC97326
0.8548 High Similarity NPC253595
0.8548 High Similarity NPC248355
0.8548 High Similarity NPC229784
0.8548 High Similarity NPC270849
0.8548 High Similarity NPC26653
0.8548 High Similarity NPC477294
0.8545 High Similarity NPC148060
0.8537 High Similarity NPC108659
0.8537 High Similarity NPC476873
0.8537 High Similarity NPC103533
0.8537 High Similarity NPC231607
0.8537 High Similarity NPC469687
0.8537 High Similarity NPC264900
0.8537 High Similarity NPC79715
0.8537 High Similarity NPC198798
0.8525 High Similarity NPC12308
0.8504 High Similarity NPC470881
0.8504 High Similarity NPC35731
0.8492 Intermediate Similarity NPC470270
0.8492 Intermediate Similarity NPC165686
0.8492 Intermediate Similarity NPC303422
0.8492 Intermediate Similarity NPC85799
0.8492 Intermediate Similarity NPC252833
0.8492 Intermediate Similarity NPC26080
0.848 Intermediate Similarity NPC472024
0.848 Intermediate Similarity NPC80600
0.8468 Intermediate Similarity NPC146540
0.8468 Intermediate Similarity NPC302378
0.8468 Intermediate Similarity NPC148982
0.8455 Intermediate Similarity NPC94179
0.8448 Intermediate Similarity NPC142319
0.8438 Intermediate Similarity NPC79957
0.8425 Intermediate Similarity NPC115022
0.8425 Intermediate Similarity NPC132895
0.8425 Intermediate Similarity NPC294166
0.8425 Intermediate Similarity NPC25821
0.8413 Intermediate Similarity NPC166168
0.8413 Intermediate Similarity NPC254819
0.8413 Intermediate Similarity NPC219677
0.8413 Intermediate Similarity NPC9912
0.8413 Intermediate Similarity NPC281798
0.84 Intermediate Similarity NPC184092
0.84 Intermediate Similarity NPC218003
0.84 Intermediate Similarity NPC295970
0.84 Intermediate Similarity NPC469549
0.8374 Intermediate Similarity NPC123704
0.8372 Intermediate Similarity NPC166180
0.8372 Intermediate Similarity NPC52277
0.8372 Intermediate Similarity NPC471345
0.8372 Intermediate Similarity NPC177035
0.8372 Intermediate Similarity NPC199459
0.8362 Intermediate Similarity NPC120217
0.8359 Intermediate Similarity NPC107478
0.8359 Intermediate Similarity NPC169398
0.8359 Intermediate Similarity NPC886
0.8359 Intermediate Similarity NPC287597
0.8359 Intermediate Similarity NPC34293
0.8359 Intermediate Similarity NPC188555
0.8359 Intermediate Similarity NPC130496
0.8346 Intermediate Similarity NPC473285
0.8346 Intermediate Similarity NPC299144
0.8346 Intermediate Similarity NPC473924
0.8333 Intermediate Similarity NPC262606
0.8333 Intermediate Similarity NPC469705
0.8333 Intermediate Similarity NPC17968
0.8333 Intermediate Similarity NPC470122
0.8333 Intermediate Similarity NPC474491
0.832 Intermediate Similarity NPC158673
0.8308 Intermediate Similarity NPC304152
0.8308 Intermediate Similarity NPC262328
0.8308 Intermediate Similarity NPC78363
0.8308 Intermediate Similarity NPC87777
0.8308 Intermediate Similarity NPC138738
0.8308 Intermediate Similarity NPC470413
0.8295 Intermediate Similarity NPC263829
0.8295 Intermediate Similarity NPC238243
0.8281 Intermediate Similarity NPC49074
0.8281 Intermediate Similarity NPC28637
0.8281 Intermediate Similarity NPC254398
0.8268 Intermediate Similarity NPC475067
0.8268 Intermediate Similarity NPC475824
0.8257 Intermediate Similarity NPC262826
0.8235 Intermediate Similarity NPC9248
0.8235 Intermediate Similarity NPC476266
0.8231 Intermediate Similarity NPC203230
0.8231 Intermediate Similarity NPC40664
0.8231 Intermediate Similarity NPC157554
0.8231 Intermediate Similarity NPC197723
0.8231 Intermediate Similarity NPC165482
0.8231 Intermediate Similarity NPC138350
0.8231 Intermediate Similarity NPC3293
0.8231 Intermediate Similarity NPC186418
0.8231 Intermediate Similarity NPC242028
0.8217 Intermediate Similarity NPC48863
0.8217 Intermediate Similarity NPC471883
0.8217 Intermediate Similarity NPC13745
0.8217 Intermediate Similarity NPC251981
0.8217 Intermediate Similarity NPC87696
0.8217 Intermediate Similarity NPC476411
0.8217 Intermediate Similarity NPC187194
0.8217 Intermediate Similarity NPC471029
0.8203 Intermediate Similarity NPC471095
0.8203 Intermediate Similarity NPC162093
0.8203 Intermediate Similarity NPC471066
0.8197 Intermediate Similarity NPC470804
0.8182 Intermediate Similarity NPC106944
0.8174 Intermediate Similarity NPC306045
0.8174 Intermediate Similarity NPC265211
0.8168 Intermediate Similarity NPC65262
0.8168 Intermediate Similarity NPC260425
0.8168 Intermediate Similarity NPC59324
0.8168 Intermediate Similarity NPC65530
0.8168 Intermediate Similarity NPC476376
0.8168 Intermediate Similarity NPC469364
0.8168 Intermediate Similarity NPC101686
0.8168 Intermediate Similarity NPC195196
0.8168 Intermediate Similarity NPC124149
0.8158 Intermediate Similarity NPC251306
0.8154 Intermediate Similarity NPC476870
0.8154 Intermediate Similarity NPC101624
0.8154 Intermediate Similarity NPC184938
0.814 Intermediate Similarity NPC215833
0.814 Intermediate Similarity NPC164172

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC175771 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
0.8974 High Similarity NPD1091 Approved
0.8106 Intermediate Similarity NPD7266 Discontinued
0.7692 Intermediate Similarity NPD3027 Phase 3
0.7692 Intermediate Similarity NPD290 Approved
0.7661 Intermediate Similarity NPD1357 Approved
0.766 Intermediate Similarity NPD1653 Approved
0.7652 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7652 Intermediate Similarity NPD1613 Approved
0.7627 Intermediate Similarity NPD2684 Approved
0.76 Intermediate Similarity NPD5126 Approved
0.76 Intermediate Similarity NPD5125 Phase 3
0.7583 Intermediate Similarity NPD969 Suspended
0.7521 Intermediate Similarity NPD7843 Approved
0.7481 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD3705 Approved
0.7458 Intermediate Similarity NPD968 Approved
0.744 Intermediate Similarity NPD1548 Phase 1
0.7429 Intermediate Similarity NPD5058 Phase 3
0.7348 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD2934 Approved
0.7345 Intermediate Similarity NPD2933 Approved
0.7344 Intermediate Similarity NPD1610 Phase 2
0.7339 Intermediate Similarity NPD7157 Approved
0.7302 Intermediate Similarity NPD9545 Approved
0.7295 Intermediate Similarity NPD228 Approved
0.7281 Intermediate Similarity NPD2860 Approved
0.7281 Intermediate Similarity NPD2859 Approved
0.7273 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2861 Phase 2
0.7265 Intermediate Similarity NPD846 Approved
0.7265 Intermediate Similarity NPD940 Approved
0.725 Intermediate Similarity NPD1358 Approved
0.7248 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD4536 Approved
0.7226 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD4538 Approved
0.7218 Intermediate Similarity NPD4908 Phase 1
0.7214 Intermediate Similarity NPD1652 Phase 2
0.7214 Intermediate Similarity NPD6674 Discontinued
0.7179 Intermediate Similarity NPD1242 Phase 1
0.7174 Intermediate Similarity NPD5588 Approved
0.7174 Intermediate Similarity NPD5960 Phase 3
0.7162 Intermediate Similarity NPD8455 Phase 2
0.7156 Intermediate Similarity NPD111 Approved
0.7131 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD6190 Approved
0.7111 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD3685 Discontinued
0.7094 Intermediate Similarity NPD3020 Approved
0.7077 Intermediate Similarity NPD422 Phase 1
0.7059 Intermediate Similarity NPD6233 Phase 2
0.7054 Intermediate Similarity NPD6516 Phase 2
0.7054 Intermediate Similarity NPD5846 Approved
0.7045 Intermediate Similarity NPD8651 Approved
0.7043 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD3179 Approved
0.7037 Intermediate Similarity NPD3180 Approved
0.6992 Remote Similarity NPD3021 Approved
0.6992 Remote Similarity NPD3022 Approved
0.6992 Remote Similarity NPD3094 Phase 2
0.6978 Remote Similarity NPD7097 Phase 1
0.6975 Remote Similarity NPD291 Approved
0.6972 Remote Similarity NPD5698 Clinical (unspecified phase)
0.696 Remote Similarity NPD821 Approved
0.6957 Remote Similarity NPD4340 Discontinued
0.6957 Remote Similarity NPD230 Phase 1
0.695 Remote Similarity NPD2029 Clinical (unspecified phase)
0.693 Remote Similarity NPD9365 Approved
0.6929 Remote Similarity NPD6671 Approved
0.6923 Remote Similarity NPD4628 Phase 3
0.6923 Remote Similarity NPD9384 Approved
0.6923 Remote Similarity NPD9381 Approved
0.6923 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6885 Remote Similarity NPD3134 Approved
0.6884 Remote Similarity NPD4060 Phase 1
0.6861 Remote Similarity NPD6798 Discontinued
0.6861 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6855 Remote Similarity NPD556 Approved
0.6846 Remote Similarity NPD4380 Phase 2
0.6842 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6835 Remote Similarity NPD5124 Phase 1
0.6835 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6835 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6835 Remote Similarity NPD7054 Approved
0.6822 Remote Similarity NPD856 Approved
0.6822 Remote Similarity NPD16 Approved
0.6821 Remote Similarity NPD2978 Approved
0.6821 Remote Similarity NPD2977 Approved
0.6818 Remote Similarity NPD3092 Approved
0.6818 Remote Similarity NPD1535 Discovery
0.6812 Remote Similarity NPD4062 Phase 3
0.6809 Remote Similarity NPD4108 Discontinued
0.68 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6792 Remote Similarity NPD7472 Approved
0.6792 Remote Similarity NPD7074 Phase 3
0.6786 Remote Similarity NPD6653 Approved
0.6783 Remote Similarity NPD2424 Discontinued
0.6781 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6772 Remote Similarity NPD7228 Approved
0.6772 Remote Similarity NPD3818 Discontinued
0.6772 Remote Similarity NPD5283 Phase 1
0.6767 Remote Similarity NPD2231 Phase 2
0.6767 Remote Similarity NPD2235 Phase 2
0.6767 Remote Similarity NPD1481 Phase 2
0.6755 Remote Similarity NPD37 Approved
0.6753 Remote Similarity NPD6234 Discontinued
0.675 Remote Similarity NPD6797 Phase 2
0.6741 Remote Similarity NPD1817 Approved
0.6741 Remote Similarity NPD1820 Approved
0.6741 Remote Similarity NPD1818 Approved
0.6741 Remote Similarity NPD1819 Approved
0.6739 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6735 Remote Similarity NPD3536 Discontinued
0.6732 Remote Similarity NPD4965 Approved
0.6732 Remote Similarity NPD4967 Phase 2
0.6732 Remote Similarity NPD4966 Approved
0.6716 Remote Similarity NPD9622 Approved
0.6716 Remote Similarity NPD6582 Phase 2
0.6716 Remote Similarity NPD2982 Phase 2
0.6716 Remote Similarity NPD4659 Approved
0.6716 Remote Similarity NPD2983 Phase 2
0.6716 Remote Similarity NPD4749 Approved
0.6716 Remote Similarity NPD6583 Phase 3
0.6714 Remote Similarity NPD6355 Discontinued
0.6713 Remote Similarity NPD1375 Discontinued
0.6713 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6713 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6708 Remote Similarity NPD7685 Pre-registration
0.6708 Remote Similarity NPD7251 Discontinued
0.6708 Remote Similarity NPD6559 Discontinued
0.6695 Remote Similarity NPD1809 Phase 2
0.6695 Remote Similarity NPD844 Approved
0.6693 Remote Similarity NPD5535 Approved
0.6693 Remote Similarity NPD1138 Approved
0.6692 Remote Similarity NPD318 Approved
0.6692 Remote Similarity NPD317 Approved
0.6691 Remote Similarity NPD6407 Approved
0.6691 Remote Similarity NPD6405 Approved
0.669 Remote Similarity NPD7033 Discontinued
0.669 Remote Similarity NPD4535 Phase 3
0.6667 Remote Similarity NPD845 Approved
0.6667 Remote Similarity NPD1549 Phase 2
0.6667 Remote Similarity NPD1778 Approved
0.6667 Remote Similarity NPD3052 Approved
0.6667 Remote Similarity NPD3054 Approved
0.6667 Remote Similarity NPD7808 Phase 3
0.6667 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6644 Remote Similarity NPD2677 Approved
0.6643 Remote Similarity NPD3620 Phase 2
0.6643 Remote Similarity NPD1558 Phase 1
0.6643 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6643 Remote Similarity NPD3059 Approved
0.6643 Remote Similarity NPD3062 Approved
0.6643 Remote Similarity NPD2238 Phase 2
0.6643 Remote Similarity NPD3061 Approved
0.6642 Remote Similarity NPD2562 Approved
0.6642 Remote Similarity NPD3018 Phase 2
0.6642 Remote Similarity NPD2561 Approved
0.6642 Remote Similarity NPD2981 Phase 2
0.6641 Remote Similarity NPD7741 Discontinued
0.6641 Remote Similarity NPD3091 Approved
0.6641 Remote Similarity NPD1894 Discontinued
0.6622 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6621 Remote Similarity NPD3060 Approved
0.6621 Remote Similarity NPD4236 Phase 3
0.6621 Remote Similarity NPD4237 Approved
0.6619 Remote Similarity NPD1048 Approved
0.6619 Remote Similarity NPD3764 Approved
0.6618 Remote Similarity NPD4103 Phase 2
0.6618 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6617 Remote Similarity NPD3496 Discontinued
0.6617 Remote Similarity NPD3847 Discontinued
0.6615 Remote Similarity NPD694 Clinical (unspecified phase)
0.6615 Remote Similarity NPD9493 Approved
0.6614 Remote Similarity NPD1139 Approved
0.6614 Remote Similarity NPD1137 Approved
0.6612 Remote Similarity NPD289 Clinical (unspecified phase)
0.6612 Remote Similarity NPD3028 Approved
0.661 Remote Similarity NPD9296 Approved
0.6609 Remote Similarity NPD9295 Approved
0.6597 Remote Similarity NPD5763 Approved
0.6597 Remote Similarity NPD5762 Approved
0.6596 Remote Similarity NPD5735 Approved
0.6593 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6587 Remote Similarity NPD5451 Approved
0.6587 Remote Similarity NPD4750 Phase 3
0.6575 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6574 Remote Similarity NPD9294 Approved
0.6571 Remote Similarity NPD1423 Approved
0.6569 Remote Similarity NPD9621 Approved
0.6569 Remote Similarity NPD558 Phase 2
0.6569 Remote Similarity NPD5647 Approved
0.6569 Remote Similarity NPD9620 Approved
0.6569 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6569 Remote Similarity NPD6584 Phase 3
0.6569 Remote Similarity NPD9619 Approved
0.656 Remote Similarity NPD9532 Phase 3
0.656 Remote Similarity NPD9265 Clinical (unspecified phase)
0.656 Remote Similarity NPD9552 Approved
0.6554 Remote Similarity NPD7213 Phase 3

Structure

External Identifiers

PubChem CID   49871127
ChEMBL   CHEMBL3609099
ZINC  

Physicochemical Properties

Molecular Weight:  286.11
ALogP:  -2.6559
MLogP:  2.12
XLogP:  -0.295
# Rotatable Bonds:  9
Polar Surface Area:  119.61
# H-Bond Aceptor:  6
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  20

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Biological Activities  
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