Natural Product: NPC228906

Natural Product ID:  NPC228906
Common Name:   (2S,7R,9S)-9-Methoxy-7-Methyl-2-Propan-2-Yl-7,9-Dihydro-6H-Furo[3,2-H]Isochromen-3-One
IUPAC Name:   (2S,7R,9S)-9-methoxy-7-methyl-2-propan-2-yl-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one
Synonyms:  
Molecular Formula:   C16H20O4
Standard InCHIKey:  OOXIYCFKVAWYJC-OELKAKTESA-N
Standard InCHI:  InChI=1S/C16H20O4/c1-8(2)14-13(17)11-6-5-10-7-9(3)19-16(18-4)12(10)15(11)20-14/h5-6,8-9,14,16H,7H2,1-4H3/t9-,14+,16+/m1/s1
Canonical SMILES:  CO[C@H]1O[C@H](C)Cc2c1c1O[C@H](C(=O)c1cc2)C(C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO28821 Stichopus horrens Species Stichopodidae Eukaryota UNPD*
NPO10770 Ptilota pectinata Species Ceramiaceae Eukaryota UNPD*
NPO17602 Arbutus menziesii Species Ericaceae Eukaryota UNPD*
NPO17145 Aegiceras corniculatum Species Primulaceae Eukaryota UNPD*
NPO17218 Helichrysum nudifolium Species Asteraceae Eukaryota UNPD*
NPO28868 Pardachirus pavoninus Species Soleidae Eukaryota UNPD*
NPO5119 Pseudomonas chlororaphis Species Pseudomonadaceae Bacteria UNPD*
NPO15748 Hypoxis nyasica Species Hypoxidaceae Eukaryota UNPD*
NPO16455 Xylopia aethiopica Species Annonaceae Eukaryota UNPD*
NPO27058 Aspergillus ustus Species Aspergillaceae Eukaryota PMID[24033077]
NPO13013 Saccharothrix mutabilis Species Pseudonocardiaceae Bacteria UNPD*
NPO30770 Penicillium sp. Species Aspergillaceae Eukaryota PMID[24033077]
NPO7905 Lepista irina Species Tricholomataceae Eukaryota UNPD*
NPO4336 Echiochilon pauciflorum Species Boraginaceae Eukaryota UNPD*
NPO4507 Bruguiera gymnorhiza Species Rhizophoraceae Eukaryota UNPD*
NPO21437 Rhododendron aureum Species Ericaceae Eukaryota UNPD*
NPO14813 Agaricus silvaticus Species Agaricaceae Eukaryota UNPD*
NPO16052 Chromodoris obsoleta Species Chromodorididae Eukaryota UNPD*
NPO14002 Petalostemon purpureum Species Fabaceae Eukaryota UNPD*
NPO18073 Justicia trinervia Species Acanthaceae Eukaryota UNPD*
NPO8010 Otostegia fruticosa Species Lamiaceae Eukaryota UNPD*
NPO17999 Sonneratia alba Species Lythraceae Eukaryota UNPD*
NPO16566 Cinnamosma madagascariensis Species Canellaceae Eukaryota UNPD*
NPO84 Isoberlinia angolensis Species Fabaceae Eukaryota UNPD*
NPO16456 Mirabilis jalapa Species Nyctaginaceae Eukaryota UNPD*
NPO25550 Buchenavia tetraphylla Species Combretaceae Eukaryota UNPD*
NPO15919 Streptomyces caelestis Species Streptomycetaceae Bacteria UNPD*
NPO16695 Fumaria kraliki Species Papaveraceae Eukaryota UNPD*
NPO15599 Daldinia concentrica Species Xylariaceae Eukaryota UNPD*
NPO16329 Potebniamyces gallicola Species Phacidiaceae Eukaryota UNPD*
NPO2155 Tephroseris integrifolia Species Asteraceae Eukaryota UNPD*
NPO17844 Agaricus integer Species Agaricaceae Eukaryota UNPD*
NPO14575 Periploca forrestii Species Cosmopterigidae Eukaryota UNPD*
NPO15545 Veltheimia viridifolia Species Hyacinthaceae Eukaryota UNPD*
NPO17339 Macaranga sinensis Species Euphorbiaceae Eukaryota UNPD*
NPO16812 Ajuga bracteosa Species Lamiaceae Eukaryota UNPD*
NPO9189 Streptomyces atratus Species Streptomycetaceae Bacteria UNPD*
NPO15004 Artemisia taurica Species Asteraceae Eukaryota UNPD*
NPO17304 Sipunculus nudus Species Sipunculidae Eukaryota UNPD*
NPO17071 Coeloseira pacifica Species Champiaceae Eukaryota UNPD*
NPO9951 Hyella caespitosa Species Hyellaceae Bacteria UNPD*
NPO13789 Paranephelius uniflorus Species Asteraceae Eukaryota UNPD*
NPO17921 Allium monspessulanum Species Amaryllidaceae Eukaryota UNPD*
NPO11408 Podocarpus amarus Species Podocarpaceae Eukaryota UNPD*
NPO11760 Teucrium orientale Species Lamiaceae Eukaryota UNPD*
NPO28319 Ulva prolifera Species Ulvaceae Eukaryota UNPD*
NPO22097 Plakinastrella clathrata Species Plakinidae Eukaryota UNPD*
NPO2550 Trichoderma citrinum Species Hypocreaceae Eukaryota UNPD*
NPO26788 Sophora viciifolia Species Fabaceae Eukaryota UNPD*
NPO17375 Ceramium botryocarpum Species Ceramiaceae Eukaryota UNPD*
NPO16215 Umbilicaria cinereorufescens Species Umbilicariaceae Eukaryota UNPD*
NPO16923 Cereus chrysacanthus Species Sagartiidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens IC50 > 100000 nM 24033077

  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 NPC228906 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 NPC469416
1.0 High Similarity NPC471348
0.993 High Similarity NPC219560
0.9524 High Similarity NPC471347
0.9524 High Similarity NPC471349
0.9456 High Similarity NPC175617
0.9116 High Similarity NPC471346
0.898 High Similarity NPC469385
0.8881 High Similarity NPC217914
0.8675 High Similarity NPC469425
0.8456 Intermediate Similarity NPC477537
0.8438 Intermediate Similarity NPC216752
0.8428 Intermediate Similarity NPC65784
0.8344 Intermediate Similarity NPC470331
0.8333 Intermediate Similarity NPC477535
0.8323 Intermediate Similarity NPC278329
0.8323 Intermediate Similarity NPC101116
0.8323 Intermediate Similarity NPC212099
0.8323 Intermediate Similarity NPC146837
0.8313 Intermediate Similarity NPC313368
0.8313 Intermediate Similarity NPC186800
0.8313 Intermediate Similarity NPC470667
0.8311 Intermediate Similarity NPC232996
0.8301 Intermediate Similarity NPC474630
0.8293 Intermediate Similarity NPC473202
0.8255 Intermediate Similarity NPC477534
0.825 Intermediate Similarity NPC50430
0.8243 Intermediate Similarity NPC470844
0.8239 Intermediate Similarity NPC164244
0.8239 Intermediate Similarity NPC155063
0.8231 Intermediate Similarity NPC477536
0.8221 Intermediate Similarity NPC316262
0.8221 Intermediate Similarity NPC314653
0.8221 Intermediate Similarity NPC178281
0.8217 Intermediate Similarity NPC318424
0.8205 Intermediate Similarity NPC88886
0.8205 Intermediate Similarity NPC104172
0.8199 Intermediate Similarity NPC19554
0.8199 Intermediate Similarity NPC74749
0.8199 Intermediate Similarity NPC43971
0.8194 Intermediate Similarity NPC471285
0.8182 Intermediate Similarity NPC470206
0.8182 Intermediate Similarity NPC191653
0.8182 Intermediate Similarity NPC470207
0.8171 Intermediate Similarity NPC178851
0.817 Intermediate Similarity NPC471643
0.817 Intermediate Similarity NPC471639
0.8165 Intermediate Similarity NPC87708
0.8165 Intermediate Similarity NPC288534
0.8165 Intermediate Similarity NPC473967
0.816 Intermediate Similarity NPC17432
0.8155 Intermediate Similarity NPC475233
0.8151 Intermediate Similarity NPC473271
0.8148 Intermediate Similarity NPC34376
0.8144 Intermediate Similarity NPC98776
0.8144 Intermediate Similarity NPC85368
0.8129 Intermediate Similarity NPC473927
0.8125 Intermediate Similarity NPC476652
0.8125 Intermediate Similarity NPC211482
0.8121 Intermediate Similarity NPC63470
0.8121 Intermediate Similarity NPC472660
0.8117 Intermediate Similarity NPC189650
0.8117 Intermediate Similarity NPC184702
0.8107 Intermediate Similarity NPC5671
0.8101 Intermediate Similarity NPC232645
0.8101 Intermediate Similarity NPC72958
0.8101 Intermediate Similarity NPC470380
0.8098 Intermediate Similarity NPC302741
0.8098 Intermediate Similarity NPC310603
0.8095 Intermediate Similarity NPC324488
0.8095 Intermediate Similarity NPC279596
0.8086 Intermediate Similarity NPC470358
0.8084 Intermediate Similarity NPC30432
0.8084 Intermediate Similarity NPC271385
0.8084 Intermediate Similarity NPC76128
0.8084 Intermediate Similarity NPC111536
0.8084 Intermediate Similarity NPC5029
0.8077 Intermediate Similarity NPC471734
0.8072 Intermediate Similarity NPC259905
0.8065 Intermediate Similarity NPC49282
0.8063 Intermediate Similarity NPC284353
0.8061 Intermediate Similarity NPC298071
0.8054 Intermediate Similarity NPC247743
0.8054 Intermediate Similarity NPC1249
0.8052 Intermediate Similarity NPC277369
0.8052 Intermediate Similarity NPC215451
0.8052 Intermediate Similarity NPC469885
0.805 Intermediate Similarity NPC68882
0.8049 Intermediate Similarity NPC91288
0.8049 Intermediate Similarity NPC132054
0.8049 Intermediate Similarity NPC471286
0.8047 Intermediate Similarity NPC475246
0.8039 Intermediate Similarity NPC470856
0.8039 Intermediate Similarity NPC171094
0.8038 Intermediate Similarity NPC325983
0.8038 Intermediate Similarity NPC474660
0.8038 Intermediate Similarity NPC158866
0.8036 Intermediate Similarity NPC199357
0.8036 Intermediate Similarity NPC203751
0.8026 Intermediate Similarity NPC477408
0.8025 Intermediate Similarity NPC113055
0.8025 Intermediate Similarity NPC279732
0.8024 Intermediate Similarity NPC477571
0.8024 Intermediate Similarity NPC313717
0.8024 Intermediate Similarity NPC477572
0.8024 Intermediate Similarity NPC315306
0.8024 Intermediate Similarity NPC298778
0.8024 Intermediate Similarity NPC477573
0.8013 Intermediate Similarity NPC301341
0.8013 Intermediate Similarity NPC471735
0.8012 Intermediate Similarity NPC17521
0.8 Intermediate Similarity NPC477409
0.8 Intermediate Similarity NPC475813
0.8 Intermediate Similarity NPC279930
0.8 Intermediate Similarity NPC279768
0.8 Intermediate Similarity NPC472799
0.8 Intermediate Similarity NPC470932
0.7988 Intermediate Similarity NPC146803
0.7988 Intermediate Similarity NPC125991
0.7988 Intermediate Similarity NPC474345
0.7988 Intermediate Similarity NPC475106
0.7988 Intermediate Similarity NPC478199
0.7988 Intermediate Similarity NPC68381
0.7988 Intermediate Similarity NPC3718
0.7987 Intermediate Similarity NPC23253
0.7987 Intermediate Similarity NPC471640
0.7987 Intermediate Similarity NPC297985
0.7987 Intermediate Similarity NPC471644
0.7987 Intermediate Similarity NPC24075
0.7976 Intermediate Similarity NPC478002
0.7975 Intermediate Similarity NPC78944
0.7975 Intermediate Similarity NPC306978
0.7974 Intermediate Similarity NPC11566
0.7973 Intermediate Similarity NPC470976
0.7973 Intermediate Similarity NPC196979
0.7973 Intermediate Similarity NPC470977
0.7973 Intermediate Similarity NPC477412
0.7964 Intermediate Similarity NPC175477
0.7964 Intermediate Similarity NPC246274
0.7964 Intermediate Similarity NPC222455
0.7963 Intermediate Similarity NPC164110
0.7963 Intermediate Similarity NPC212967
0.7963 Intermediate Similarity NPC177742
0.7963 Intermediate Similarity NPC246647
0.7963 Intermediate Similarity NPC96342
0.7963 Intermediate Similarity NPC310206
0.7963 Intermediate Similarity NPC476930
0.7963 Intermediate Similarity NPC470606
0.7963 Intermediate Similarity NPC258644
0.7962 Intermediate Similarity NPC137296
0.7962 Intermediate Similarity NPC52106
0.7962 Intermediate Similarity NPC71055
0.7961 Intermediate Similarity NPC259685
0.7953 Intermediate Similarity NPC114257
0.7953 Intermediate Similarity NPC153578
0.7953 Intermediate Similarity NPC277710
0.7953 Intermediate Similarity NPC299149
0.7952 Intermediate Similarity NPC471923
0.7952 Intermediate Similarity NPC475109
0.7949 Intermediate Similarity NPC474044
0.7949 Intermediate Similarity NPC475923
0.7941 Intermediate Similarity NPC289876
0.7941 Intermediate Similarity NPC46958
0.7941 Intermediate Similarity NPC102053
0.7941 Intermediate Similarity NPC472661
0.7941 Intermediate Similarity NPC156635
0.7939 Intermediate Similarity NPC179198
0.7939 Intermediate Similarity NPC66087
0.7939 Intermediate Similarity NPC278419
0.7937 Intermediate Similarity NPC477960
0.7937 Intermediate Similarity NPC183536
0.7937 Intermediate Similarity NPC477961
0.7937 Intermediate Similarity NPC271681
0.7937 Intermediate Similarity NPC154683
0.7937 Intermediate Similarity NPC24232
0.7937 Intermediate Similarity NPC40356
0.7937 Intermediate Similarity NPC477962
0.7937 Intermediate Similarity NPC34965
0.7935 Intermediate Similarity NPC167663
0.7929 Intermediate Similarity NPC213052
0.7927 Intermediate Similarity NPC472780
0.7927 Intermediate Similarity NPC472783
0.7927 Intermediate Similarity NPC476929
0.7925 Intermediate Similarity NPC473466
0.7925 Intermediate Similarity NPC150928
0.7925 Intermediate Similarity NPC473966
0.7914 Intermediate Similarity NPC470607
0.7914 Intermediate Similarity NPC478042
0.7914 Intermediate Similarity NPC53139
0.7914 Intermediate Similarity NPC186113
0.7911 Intermediate Similarity NPC37139
0.7908 Intermediate Similarity NPC36414
0.7907 Intermediate Similarity NPC477860
0.7907 Intermediate Similarity NPC475161
0.7905 Intermediate Similarity NPC282230
0.7905 Intermediate Similarity NPC183348
0.7904 Intermediate Similarity NPC149244
0.7904 Intermediate Similarity NPC48640
0.7904 Intermediate Similarity NPC475453
0.7904 Intermediate Similarity NPC474948

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC228906 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
0.8 Intermediate Similarity NPD7819 Suspended
0.7961 Intermediate Similarity NPD2346 Discontinued
0.7929 Intermediate Similarity NPD6559 Discontinued
0.7888 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7866 Intermediate Similarity NPD5494 Approved
0.7836 Intermediate Similarity NPD8312 Approved
0.7836 Intermediate Similarity NPD8313 Approved
0.7834 Intermediate Similarity NPD2532 Approved
0.7834 Intermediate Similarity NPD2534 Approved
0.7834 Intermediate Similarity NPD2533 Approved
0.7829 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7812 Intermediate Similarity NPD6599 Discontinued
0.7778 Intermediate Similarity NPD2796 Approved
0.7751 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD3226 Approved
0.7744 Intermediate Similarity NPD7075 Discontinued
0.7727 Intermediate Similarity NPD1471 Phase 3
0.7697 Intermediate Similarity NPD919 Approved
0.7658 Intermediate Similarity NPD6799 Approved
0.764 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD6801 Discontinued
0.7605 Intermediate Similarity NPD6959 Discontinued
0.7588 Intermediate Similarity NPD3818 Discontinued
0.7576 Intermediate Similarity NPD3882 Suspended
0.7561 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7558 Intermediate Similarity NPD6797 Phase 2
0.755 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD6832 Phase 2
0.7517 Intermediate Similarity NPD2798 Approved
0.7516 Intermediate Similarity NPD1243 Approved
0.7516 Intermediate Similarity NPD920 Approved
0.7515 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD7251 Discontinued
0.75 Intermediate Similarity NPD1247 Approved
0.7485 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD2799 Discontinued
0.7471 Intermediate Similarity NPD7808 Phase 3
0.7452 Intermediate Similarity NPD1549 Phase 2
0.7452 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD7411 Suspended
0.7432 Intermediate Similarity NPD6779 Approved
0.7432 Intermediate Similarity NPD6780 Approved
0.7432 Intermediate Similarity NPD6781 Approved
0.7432 Intermediate Similarity NPD6782 Approved
0.7432 Intermediate Similarity NPD6776 Approved
0.7432 Intermediate Similarity NPD6777 Approved
0.7432 Intermediate Similarity NPD6778 Approved
0.741 Intermediate Similarity NPD3817 Phase 2
0.741 Intermediate Similarity NPD5402 Approved
0.7407 Intermediate Similarity NPD5403 Approved
0.7405 Intermediate Similarity NPD7435 Discontinued
0.7403 Intermediate Similarity NPD1933 Approved
0.7403 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD7074 Phase 3
0.7391 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD5401 Approved
0.7389 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD3748 Approved
0.7371 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD5711 Approved
0.7353 Intermediate Similarity NPD5710 Approved
0.7341 Intermediate Similarity NPD7054 Approved
0.7341 Intermediate Similarity NPD5844 Phase 1
0.7325 Intermediate Similarity NPD1551 Phase 2
0.7325 Intermediate Similarity NPD2935 Discontinued
0.732 Intermediate Similarity NPD2313 Discontinued
0.7312 Intermediate Similarity NPD7696 Phase 3
0.7312 Intermediate Similarity NPD7697 Approved
0.7312 Intermediate Similarity NPD7698 Approved
0.731 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD3926 Phase 2
0.7301 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD7472 Approved
0.7296 Intermediate Similarity NPD2800 Approved
0.7296 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD1934 Approved
0.7284 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD3751 Discontinued
0.7283 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7871 Phase 2
0.7273 Intermediate Similarity NPD4380 Phase 2
0.7273 Intermediate Similarity NPD7870 Phase 2
0.7253 Intermediate Similarity NPD6535 Approved
0.7253 Intermediate Similarity NPD6534 Approved
0.7251 Intermediate Similarity NPD3787 Discontinued
0.725 Intermediate Similarity NPD4628 Phase 3
0.7244 Intermediate Similarity NPD1607 Approved
0.7225 Intermediate Similarity NPD7473 Discontinued
0.7219 Intermediate Similarity NPD3749 Approved
0.7215 Intermediate Similarity NPD6099 Approved
0.7215 Intermediate Similarity NPD6100 Approved
0.7212 Intermediate Similarity NPD7458 Discontinued
0.7211 Intermediate Similarity NPD5691 Approved
0.7208 Intermediate Similarity NPD411 Approved
0.7173 Intermediate Similarity NPD7874 Approved
0.7173 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD1019 Discontinued
0.717 Intermediate Similarity NPD6004 Phase 3
0.717 Intermediate Similarity NPD6005 Phase 3
0.717 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD5762 Approved
0.717 Intermediate Similarity NPD6002 Phase 3
0.717 Intermediate Similarity NPD5763 Approved
0.717 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD6166 Phase 2
0.7162 Intermediate Similarity NPD17 Approved
0.716 Intermediate Similarity NPD7768 Phase 2
0.7158 Intermediate Similarity NPD7701 Phase 2
0.7152 Intermediate Similarity NPD1510 Phase 2
0.7151 Intermediate Similarity NPD6232 Discontinued
0.7143 Intermediate Similarity NPD3750 Approved
0.7135 Intermediate Similarity NPD7801 Approved
0.7135 Intermediate Similarity NPD7699 Phase 2
0.7135 Intermediate Similarity NPD7700 Phase 2
0.7134 Intermediate Similarity NPD6273 Approved
0.7133 Intermediate Similarity NPD9717 Approved
0.7127 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD5890 Approved
0.7126 Intermediate Similarity NPD5889 Approved
0.7115 Intermediate Similarity NPD1240 Approved
0.7115 Intermediate Similarity NPD2979 Phase 3
0.7115 Intermediate Similarity NPD4307 Phase 2
0.7111 Intermediate Similarity NPD8150 Discontinued
0.7107 Intermediate Similarity NPD2438 Suspended
0.7105 Intermediate Similarity NPD3266 Approved
0.7105 Intermediate Similarity NPD3267 Approved
0.7105 Intermediate Similarity NPD1049 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD1651 Approved
0.7093 Intermediate Similarity NPD7199 Phase 2
0.709 Intermediate Similarity NPD8319 Approved
0.709 Intermediate Similarity NPD8320 Phase 1
0.7083 Intermediate Similarity NPD37 Approved
0.7081 Intermediate Similarity NPD6674 Discontinued
0.7074 Intermediate Similarity NPD6823 Phase 2
0.707 Intermediate Similarity NPD6355 Discontinued
0.7067 Intermediate Similarity NPD1281 Approved
0.7063 Intermediate Similarity NPD2344 Approved
0.7059 Intermediate Similarity NPD4967 Phase 2
0.7059 Intermediate Similarity NPD4965 Approved
0.7059 Intermediate Similarity NPD4966 Approved
0.7056 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD1876 Approved
0.703 Intermediate Similarity NPD1512 Approved
0.702 Intermediate Similarity NPD1608 Approved
0.702 Intermediate Similarity NPD3972 Approved
0.7017 Intermediate Similarity NPD8434 Phase 2
0.7011 Intermediate Similarity NPD6213 Phase 3
0.7011 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD6212 Phase 3
0.7006 Intermediate Similarity NPD4060 Phase 1
0.7005 Intermediate Similarity NPD8285 Discontinued
0.7 Intermediate Similarity NPD5408 Approved
0.7 Intermediate Similarity NPD5405 Approved
0.7 Intermediate Similarity NPD5404 Approved
0.7 Intermediate Similarity NPD5406 Approved
0.6993 Remote Similarity NPD1203 Approved
0.6989 Remote Similarity NPD7177 Discontinued
0.6989 Remote Similarity NPD7799 Discontinued
0.6987 Remote Similarity NPD3268 Approved
0.6977 Remote Similarity NPD6234 Discontinued
0.6971 Remote Similarity NPD2403 Approved
0.6964 Remote Similarity NPD6585 Discontinued
0.6962 Remote Similarity NPD447 Suspended
0.6943 Remote Similarity NPD8032 Phase 2
0.6941 Remote Similarity NPD5761 Phase 2
0.6941 Remote Similarity NPD5760 Phase 2
0.6941 Remote Similarity NPD8455 Phase 2
0.6941 Remote Similarity NPD2801 Approved
0.6937 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6937 Remote Similarity NPD7033 Discontinued
0.6937 Remote Similarity NPD4308 Phase 3
0.6933 Remote Similarity NPD1778 Approved
0.6933 Remote Similarity NPD4626 Approved
0.6933 Remote Similarity NPD7003 Approved
0.6928 Remote Similarity NPD1283 Approved
0.6923 Remote Similarity NPD4625 Phase 3
0.6923 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6918 Remote Similarity NPD6651 Approved
0.6918 Remote Similarity NPD1241 Discontinued
0.6914 Remote Similarity NPD2897 Discontinued
0.6909 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6909 Remote Similarity NPD1511 Approved
0.69 Remote Similarity NPD8366 Approved
0.6894 Remote Similarity NPD2531 Phase 2
0.6893 Remote Similarity NPD7228 Approved
0.689 Remote Similarity NPD3887 Approved

Structure

External Identifiers

PubChem CID   73356791
ChEMBL   CHEMBL2419843
ZINC  

Physicochemical Properties

Molecular Weight:  276.14
ALogP:  -0.0125
MLogP:  2.78
XLogP:  2.488
# Rotatable Bonds:  6
Polar Surface Area:  44.76
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  20

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Biological Activities  
Similar NPs/Drugs