Natural Product: NPC222153

Natural Product ID:  NPC222153
Common Name:   Bruguierin C
IUPAC Name:   [(1R,3S,5S,8R,9S,10R,13R,14R,17S)-17-[(E,2S)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-1-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate
Synonyms:   bruguierin C
Molecular Formula:   C48H86O6
Standard InCHIKey:  PNIOLRUIMUJAKL-MZOLOXAHSA-N
Standard InCHI:  InChI=1S/C48H86O6/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-42(50)53-41-35-40(49)48(9)38(44(41,4)5)30-34-46(7)39(48)28-27-36-37(29-33-45(36,46)6)47(8,51)32-25-31-43(2,3)54-52/h25,31,36-41,49,51-52H,10-24,26-30,32-35H2,1-9H3/b31-25+/t36-,37+,38+,39+,40-,41+,45-,46-,47+,48+/m1/s1
Canonical SMILES:  CCCCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@H]2[C@](C/C=C/C(OO)(C)C)(O)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
NPO9951 Hyella caespitosa Species Hyellaceae Bacteria UNPD*
NPO16812 Ajuga bracteosa Species Lamiaceae Eukaryota UNPD*
NPO11408 Podocarpus amarus Species Podocarpaceae Eukaryota UNPD*
NPO15748 Hypoxis nyasica Species Hypoxidaceae Eukaryota UNPD*
NPO13789 Paranephelius uniflorus Species Asteraceae Eukaryota UNPD*
NPO16456 Mirabilis jalapa Species Nyctaginaceae Eukaryota UNPD*
NPO33342 Bruguiera gymnorrhiza Species Rhizophoraceae Eukaryota PMID[16562850]
NPO25550 Buchenavia tetraphylla Species Combretaceae Eukaryota UNPD*
NPO7905 Lepista irina Species Tricholomataceae Eukaryota UNPD*
NPO28821 Stichopus horrens Species Stichopodidae Eukaryota UNPD*
NPO4336 Echiochilon pauciflorum Species Boraginaceae Eukaryota UNPD*
NPO17304 Sipunculus nudus Species Sipunculidae Eukaryota UNPD*
NPO15004 Artemisia taurica Species Asteraceae Eukaryota UNPD*
NPO4507 Bruguiera gymnorhiza Species Rhizophoraceae Eukaryota UNPD*
NPO2550 Trichoderma citrinum Species Hypocreaceae Eukaryota UNPD*
NPO5119 Pseudomonas chlororaphis Species Pseudomonadaceae Bacteria UNPD*
NPO13013 Saccharothrix mutabilis Species Pseudonocardiaceae Bacteria UNPD*
NPO84 Isoberlinia angolensis Species Fabaceae Eukaryota UNPD*
NPO15919 Streptomyces caelestis Species Streptomycetaceae Bacteria UNPD*
NPO17218 Helichrysum nudifolium Species Asteraceae Eukaryota UNPD*
NPO16695 Fumaria kraliki Species Papaveraceae Eukaryota UNPD*
NPO17844 Agaricus integer Species Agaricaceae Eukaryota UNPD*
NPO16215 Umbilicaria cinereorufescens Species Umbilicariaceae Eukaryota UNPD*
NPO14002 Petalostemon purpureum Species Fabaceae Eukaryota UNPD*
NPO16329 Potebniamyces gallicola Species Phacidiaceae Eukaryota UNPD*
NPO21437 Rhododendron aureum Species Ericaceae Eukaryota UNPD*
NPO17071 Coeloseira pacifica Species Champiaceae Eukaryota UNPD*
NPO16455 Xylopia aethiopica Species Annonaceae Eukaryota UNPD*
NPO11760 Teucrium orientale Species Lamiaceae Eukaryota UNPD*
NPO16566 Cinnamosma madagascariensis Species Canellaceae Eukaryota UNPD*
NPO17375 Ceramium botryocarpum Species Ceramiaceae Eukaryota UNPD*
NPO18073 Justicia trinervia Species Acanthaceae Eukaryota UNPD*
NPO10770 Ptilota pectinata Species Ceramiaceae Eukaryota UNPD*
NPO17602 Arbutus menziesii Species Ericaceae Eukaryota UNPD*
NPO15545 Veltheimia viridifolia Species Hyacinthaceae Eukaryota UNPD*
NPO9189 Streptomyces atratus Species Streptomycetaceae Bacteria UNPD*
NPO15599 Daldinia concentrica Species Xylariaceae Eukaryota UNPD*
NPO28319 Ulva prolifera Species Ulvaceae Eukaryota UNPD*
NPO28868 Pardachirus pavoninus Species Soleidae Eukaryota UNPD*
NPO22097 Plakinastrella clathrata Species Plakinidae Eukaryota UNPD*
NPO14575 Periploca forrestii Species Cosmopterigidae Eukaryota UNPD*
NPO17999 Sonneratia alba Species Lythraceae Eukaryota UNPD*
NPO16052 Chromodoris obsoleta Species Chromodorididae Eukaryota UNPD*
NPO17921 Allium monspessulanum Species Amaryllidaceae Eukaryota UNPD*
NPO17145 Aegiceras corniculatum Species Primulaceae Eukaryota UNPD*
NPO26788 Sophora viciifolia Species Fabaceae Eukaryota UNPD*
NPO14813 Agaricus silvaticus Species Agaricaceae Eukaryota UNPD*
NPO2155 Tephroseris integrifolia Species Asteraceae Eukaryota UNPD*
NPO8010 Otostegia fruticosa Species Lamiaceae Eukaryota UNPD*
NPO16923 Cereus chrysacanthus Species Sagartiidae Eukaryota UNPD*
NPO17339 Macaranga sinensis Species Euphorbiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens EC50 = 15700 nM 16562850

  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 NPC222153 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 NPC119036
0.9208 High Similarity NPC472217
0.9208 High Similarity NPC472219
0.9208 High Similarity NPC472218
0.9091 High Similarity NPC477054
0.9062 High Similarity NPC279974
0.902 High Similarity NPC163216
0.899 High Similarity NPC477051
0.899 High Similarity NPC477052
0.899 High Similarity NPC477053
0.8932 High Similarity NPC472216
0.8932 High Similarity NPC5475
0.8932 High Similarity NPC285298
0.8932 High Similarity NPC284828
0.8932 High Similarity NPC173905
0.875 High Similarity NPC257082
0.8738 High Similarity NPC263729
0.8725 High Similarity NPC201763
0.8673 High Similarity NPC84383
0.8667 High Similarity NPC472215
0.8667 High Similarity NPC472214
0.8627 High Similarity NPC36688
0.86 High Similarity NPC477854
0.8586 High Similarity NPC471903
0.8558 High Similarity NPC42847
0.8558 High Similarity NPC64844
0.8505 High Similarity NPC470063
0.85 High Similarity NPC476878
0.85 High Similarity NPC476879
0.8462 Intermediate Similarity NPC278628
0.8462 Intermediate Similarity NPC231530
0.8454 Intermediate Similarity NPC471896
0.8447 Intermediate Similarity NPC112009
0.8447 Intermediate Similarity NPC180204
0.8431 Intermediate Similarity NPC289670
0.8431 Intermediate Similarity NPC115899
0.84 Intermediate Similarity NPC477853
0.84 Intermediate Similarity NPC54248
0.84 Intermediate Similarity NPC276103
0.84 Intermediate Similarity NPC327788
0.8384 Intermediate Similarity NPC474922
0.8381 Intermediate Similarity NPC59530
0.8367 Intermediate Similarity NPC26888
0.8365 Intermediate Similarity NPC29705
0.8351 Intermediate Similarity NPC475921
0.8351 Intermediate Similarity NPC474704
0.835 Intermediate Similarity NPC22388
0.835 Intermediate Similarity NPC475558
0.835 Intermediate Similarity NPC32577
0.835 Intermediate Similarity NPC155332
0.835 Intermediate Similarity NPC473788
0.835 Intermediate Similarity NPC114540
0.835 Intermediate Similarity NPC476081
0.8333 Intermediate Similarity NPC266955
0.8333 Intermediate Similarity NPC251680
0.8333 Intermediate Similarity NPC167974
0.8333 Intermediate Similarity NPC94906
0.8317 Intermediate Similarity NPC253586
0.8317 Intermediate Similarity NPC108078
0.8304 Intermediate Similarity NPC41123
0.8304 Intermediate Similarity NPC145074
0.8304 Intermediate Similarity NPC114939
0.8302 Intermediate Similarity NPC94529
0.83 Intermediate Similarity NPC474727
0.8286 Intermediate Similarity NPC472655
0.8273 Intermediate Similarity NPC72772
0.8273 Intermediate Similarity NPC469794
0.8269 Intermediate Similarity NPC189588
0.8269 Intermediate Similarity NPC97487
0.8269 Intermediate Similarity NPC120321
0.8269 Intermediate Similarity NPC249187
0.8269 Intermediate Similarity NPC10232
0.8269 Intermediate Similarity NPC478057
0.8269 Intermediate Similarity NPC196471
0.8269 Intermediate Similarity NPC247957
0.8269 Intermediate Similarity NPC187302
0.8265 Intermediate Similarity NPC148414
0.8265 Intermediate Similarity NPC175628
0.8265 Intermediate Similarity NPC111585
0.8252 Intermediate Similarity NPC75941
0.8252 Intermediate Similarity NPC235142
0.8252 Intermediate Similarity NPC476897
0.8247 Intermediate Similarity NPC193360
0.8235 Intermediate Similarity NPC191565
0.8235 Intermediate Similarity NPC472028
0.8235 Intermediate Similarity NPC300179
0.8235 Intermediate Similarity NPC102426
0.8224 Intermediate Similarity NPC218853
0.8218 Intermediate Similarity NPC253115
0.8218 Intermediate Similarity NPC120708
0.8218 Intermediate Similarity NPC304899
0.8208 Intermediate Similarity NPC473173
0.8208 Intermediate Similarity NPC255387
0.8208 Intermediate Similarity NPC131665
0.8208 Intermediate Similarity NPC469318
0.8208 Intermediate Similarity NPC473284
0.82 Intermediate Similarity NPC209662
0.82 Intermediate Similarity NPC159365
0.819 Intermediate Similarity NPC473543
0.819 Intermediate Similarity NPC471293
0.8182 Intermediate Similarity NPC234335
0.8173 Intermediate Similarity NPC271980
0.8173 Intermediate Similarity NPC475344
0.8173 Intermediate Similarity NPC476471
0.8173 Intermediate Similarity NPC124544
0.8173 Intermediate Similarity NPC193934
0.8165 Intermediate Similarity NPC280782
0.8163 Intermediate Similarity NPC474889
0.8163 Intermediate Similarity NPC128496
0.8155 Intermediate Similarity NPC201406
0.8155 Intermediate Similarity NPC180733
0.8155 Intermediate Similarity NPC471041
0.8155 Intermediate Similarity NPC108371
0.8155 Intermediate Similarity NPC37047
0.8155 Intermediate Similarity NPC41971
0.8148 Intermediate Similarity NPC197428
0.8148 Intermediate Similarity NPC475134
0.8148 Intermediate Similarity NPC101450
0.8148 Intermediate Similarity NPC475563
0.8144 Intermediate Similarity NPC142361
0.8144 Intermediate Similarity NPC128644
0.8144 Intermediate Similarity NPC474684
0.8137 Intermediate Similarity NPC291634
0.8137 Intermediate Similarity NPC57416
0.8137 Intermediate Similarity NPC320306
0.8131 Intermediate Similarity NPC258323
0.8119 Intermediate Similarity NPC37787
0.8119 Intermediate Similarity NPC473415
0.8119 Intermediate Similarity NPC180557
0.8119 Intermediate Similarity NPC469329
0.8119 Intermediate Similarity NPC30677
0.8119 Intermediate Similarity NPC266899
0.8113 Intermediate Similarity NPC119855
0.8113 Intermediate Similarity NPC477877
0.8113 Intermediate Similarity NPC220217
0.8113 Intermediate Similarity NPC196528
0.8113 Intermediate Similarity NPC257353
0.81 Intermediate Similarity NPC86368
0.81 Intermediate Similarity NPC473690
0.81 Intermediate Similarity NPC470224
0.81 Intermediate Similarity NPC471902
0.81 Intermediate Similarity NPC287118
0.8095 Intermediate Similarity NPC72151
0.8095 Intermediate Similarity NPC312900
0.8095 Intermediate Similarity NPC474124
0.8095 Intermediate Similarity NPC473523
0.8095 Intermediate Similarity NPC95899
0.8081 Intermediate Similarity NPC469400
0.8081 Intermediate Similarity NPC10274
0.8081 Intermediate Similarity NPC232202
0.8077 Intermediate Similarity NPC268829
0.8077 Intermediate Similarity NPC222875
0.8077 Intermediate Similarity NPC295110
0.8077 Intermediate Similarity NPC247701
0.8077 Intermediate Similarity NPC475617
0.8077 Intermediate Similarity NPC471412
0.8077 Intermediate Similarity NPC253886
0.8077 Intermediate Similarity NPC25177
0.8077 Intermediate Similarity NPC121218
0.8073 Intermediate Similarity NPC475480
0.8073 Intermediate Similarity NPC475668
0.8073 Intermediate Similarity NPC473921
0.8061 Intermediate Similarity NPC4309
0.8061 Intermediate Similarity NPC242864
0.8058 Intermediate Similarity NPC470068
0.8058 Intermediate Similarity NPC218107
0.8058 Intermediate Similarity NPC470066
0.8058 Intermediate Similarity NPC58942
0.8058 Intermediate Similarity NPC78427
0.8058 Intermediate Similarity NPC38471
0.8058 Intermediate Similarity NPC234617
0.8058 Intermediate Similarity NPC260149
0.8058 Intermediate Similarity NPC20479
0.8058 Intermediate Similarity NPC38296
0.8058 Intermediate Similarity NPC114274
0.8058 Intermediate Similarity NPC28864
0.8058 Intermediate Similarity NPC16911
0.8058 Intermediate Similarity NPC98837
0.8058 Intermediate Similarity NPC162459
0.8058 Intermediate Similarity NPC470067
0.8058 Intermediate Similarity NPC124703
0.8056 Intermediate Similarity NPC475065
0.8056 Intermediate Similarity NPC10064
0.8056 Intermediate Similarity NPC170221
0.8041 Intermediate Similarity NPC474970
0.8041 Intermediate Similarity NPC264127
0.8041 Intermediate Similarity NPC325594
0.8041 Intermediate Similarity NPC73038
0.8041 Intermediate Similarity NPC155011
0.8039 Intermediate Similarity NPC160056
0.8039 Intermediate Similarity NPC7124
0.8039 Intermediate Similarity NPC235053
0.8039 Intermediate Similarity NPC327179
0.8039 Intermediate Similarity NPC173272
0.8039 Intermediate Similarity NPC471777
0.8037 Intermediate Similarity NPC475294
0.8037 Intermediate Similarity NPC187435
0.8037 Intermediate Similarity NPC475781
0.8037 Intermediate Similarity NPC67321
0.8036 Intermediate Similarity NPC476959

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC222153 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
0.8416 Intermediate Similarity NPD7638 Approved
0.8333 Intermediate Similarity NPD7640 Approved
0.8333 Intermediate Similarity NPD7639 Approved
0.7921 Intermediate Similarity NPD6399 Phase 3
0.7822 Intermediate Similarity NPD8034 Phase 2
0.7822 Intermediate Similarity NPD8035 Phase 2
0.7822 Intermediate Similarity NPD7637 Suspended
0.7798 Intermediate Similarity NPD6881 Approved
0.7798 Intermediate Similarity NPD6899 Approved
0.7778 Intermediate Similarity NPD6675 Approved
0.7778 Intermediate Similarity NPD6402 Approved
0.7778 Intermediate Similarity NPD7128 Approved
0.7778 Intermediate Similarity NPD5739 Approved
0.7755 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7748 Intermediate Similarity NPD8130 Phase 1
0.7719 Intermediate Similarity NPD7115 Discovery
0.7706 Intermediate Similarity NPD5697 Approved
0.7679 Intermediate Similarity NPD8297 Approved
0.767 Intermediate Similarity NPD7748 Approved
0.7664 Intermediate Similarity NPD7632 Discontinued
0.7658 Intermediate Similarity NPD6883 Approved
0.7658 Intermediate Similarity NPD7290 Approved
0.7658 Intermediate Similarity NPD7102 Approved
0.7653 Intermediate Similarity NPD4786 Approved
0.7636 Intermediate Similarity NPD7320 Approved
0.7619 Intermediate Similarity NPD6083 Phase 2
0.7619 Intermediate Similarity NPD6084 Phase 2
0.7589 Intermediate Similarity NPD6617 Approved
0.7589 Intermediate Similarity NPD6847 Approved
0.7589 Intermediate Similarity NPD6650 Approved
0.7589 Intermediate Similarity NPD6869 Approved
0.7589 Intermediate Similarity NPD6649 Approved
0.7579 Intermediate Similarity NPD6115 Approved
0.7579 Intermediate Similarity NPD6697 Approved
0.7579 Intermediate Similarity NPD6118 Approved
0.7579 Intermediate Similarity NPD6114 Approved
0.7568 Intermediate Similarity NPD6372 Approved
0.7568 Intermediate Similarity NPD6013 Approved
0.7568 Intermediate Similarity NPD6373 Approved
0.7568 Intermediate Similarity NPD6012 Approved
0.7568 Intermediate Similarity NPD6014 Approved
0.7545 Intermediate Similarity NPD5701 Approved
0.7522 Intermediate Similarity NPD6882 Approved
0.75 Intermediate Similarity NPD7507 Approved
0.7477 Intermediate Similarity NPD6011 Approved
0.7476 Intermediate Similarity NPD7515 Phase 2
0.7476 Intermediate Similarity NPD6079 Approved
0.7459 Intermediate Similarity NPD7319 Approved
0.7456 Intermediate Similarity NPD4632 Approved
0.7455 Intermediate Similarity NPD6008 Approved
0.7453 Intermediate Similarity NPD7902 Approved
0.7451 Intermediate Similarity NPD5328 Approved
0.7449 Intermediate Similarity NPD3667 Approved
0.7423 Intermediate Similarity NPD7525 Registered
0.7411 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD7736 Approved
0.7374 Intermediate Similarity NPD6695 Phase 3
0.7373 Intermediate Similarity NPD6319 Approved
0.7368 Intermediate Similarity NPD6117 Approved
0.735 Intermediate Similarity NPD7328 Approved
0.735 Intermediate Similarity NPD7327 Approved
0.7339 Intermediate Similarity NPD5211 Phase 2
0.7327 Intermediate Similarity NPD3618 Phase 1
0.7321 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD5286 Approved
0.7315 Intermediate Similarity NPD4696 Approved
0.7315 Intermediate Similarity NPD5285 Approved
0.7311 Intermediate Similarity NPD8379 Approved
0.7311 Intermediate Similarity NPD8033 Approved
0.7311 Intermediate Similarity NPD8296 Approved
0.7311 Intermediate Similarity NPD8380 Approved
0.7311 Intermediate Similarity NPD8335 Approved
0.7311 Intermediate Similarity NPD8378 Approved
0.7304 Intermediate Similarity NPD8133 Approved
0.73 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD6116 Phase 1
0.729 Intermediate Similarity NPD4755 Approved
0.7288 Intermediate Similarity NPD7516 Approved
0.7281 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7492 Approved
0.7265 Intermediate Similarity NPD6009 Approved
0.7264 Intermediate Similarity NPD5695 Phase 3
0.7255 Intermediate Similarity NPD7750 Discontinued
0.7238 Intermediate Similarity NPD5778 Approved
0.7238 Intermediate Similarity NPD5779 Approved
0.7238 Intermediate Similarity NPD4202 Approved
0.7227 Intermediate Similarity NPD8377 Approved
0.7227 Intermediate Similarity NPD8294 Approved
0.7227 Intermediate Similarity NPD6054 Approved
0.7222 Intermediate Similarity NPD5696 Approved
0.7217 Intermediate Similarity NPD6053 Discontinued
0.7216 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD6616 Approved
0.7207 Intermediate Similarity NPD5141 Approved
0.7196 Intermediate Similarity NPD5221 Approved
0.7196 Intermediate Similarity NPD5222 Approved
0.7196 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD7604 Phase 2
0.7184 Intermediate Similarity NPD5737 Approved
0.7184 Intermediate Similarity NPD6672 Approved
0.7184 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD5226 Approved
0.7182 Intermediate Similarity NPD4633 Approved
0.7182 Intermediate Similarity NPD5225 Approved
0.7182 Intermediate Similarity NPD5224 Approved
0.717 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD7900 Approved
0.7168 Intermediate Similarity NPD6686 Approved
0.7167 Intermediate Similarity NPD5983 Phase 2
0.7158 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD7146 Approved
0.7157 Intermediate Similarity NPD7521 Approved
0.7157 Intermediate Similarity NPD7334 Approved
0.7157 Intermediate Similarity NPD6409 Approved
0.7157 Intermediate Similarity NPD6684 Approved
0.7157 Intermediate Similarity NPD5330 Approved
0.7156 Intermediate Similarity NPD4700 Approved
0.7154 Intermediate Similarity NPD7078 Approved
0.7154 Intermediate Similarity NPD8293 Discontinued
0.7143 Intermediate Similarity NPD6411 Approved
0.7143 Intermediate Similarity NPD7100 Approved
0.7143 Intermediate Similarity NPD7101 Approved
0.713 Intermediate Similarity NPD5173 Approved
0.7117 Intermediate Similarity NPD5174 Approved
0.7117 Intermediate Similarity NPD5175 Approved
0.7115 Intermediate Similarity NPD4753 Phase 2
0.7107 Intermediate Similarity NPD6370 Approved
0.7103 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5223 Approved
0.7087 Intermediate Similarity NPD7524 Approved
0.7083 Intermediate Similarity NPD6059 Approved
0.708 Intermediate Similarity NPD6412 Phase 2
0.7073 Intermediate Similarity NPD6336 Discontinued
0.7071 Intermediate Similarity NPD7514 Phase 3
0.7071 Intermediate Similarity NPD6930 Phase 2
0.7071 Intermediate Similarity NPD6931 Approved
0.7064 Intermediate Similarity NPD4225 Approved
0.7059 Intermediate Similarity NPD6335 Approved
0.7043 Intermediate Similarity NPD4634 Approved
0.7037 Intermediate Similarity NPD4697 Phase 3
0.7034 Intermediate Similarity NPD6868 Approved
0.7034 Intermediate Similarity NPD6274 Approved
0.703 Intermediate Similarity NPD5362 Discontinued
0.7025 Intermediate Similarity NPD6016 Approved
0.7025 Intermediate Similarity NPD6015 Approved
0.7019 Intermediate Similarity NPD6903 Approved
0.699 Remote Similarity NPD6098 Approved
0.6975 Remote Similarity NPD6317 Approved
0.697 Remote Similarity NPD6929 Approved
0.6967 Remote Similarity NPD5988 Approved
0.6961 Remote Similarity NPD3665 Phase 1
0.6961 Remote Similarity NPD3666 Approved
0.6961 Remote Similarity NPD3668 Phase 3
0.6961 Remote Similarity NPD3133 Approved
0.6957 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6952 Remote Similarity NPD6051 Approved
0.6952 Remote Similarity NPD6101 Approved
0.6952 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6952 Remote Similarity NPD6673 Approved
0.6952 Remote Similarity NPD6904 Approved
0.6952 Remote Similarity NPD6080 Approved
0.6944 Remote Similarity NPD5210 Approved
0.6944 Remote Similarity NPD4629 Approved
0.6939 Remote Similarity NPD6932 Approved
0.693 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4251 Approved
0.6923 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4250 Approved
0.6917 Remote Similarity NPD6313 Approved
0.6917 Remote Similarity NPD6314 Approved
0.6907 Remote Similarity NPD7339 Approved
0.6907 Remote Similarity NPD6942 Approved
0.69 Remote Similarity NPD4819 Approved
0.69 Remote Similarity NPD5790 Clinical (unspecified phase)
0.69 Remote Similarity NPD7332 Phase 2
0.69 Remote Similarity NPD4821 Approved
0.69 Remote Similarity NPD4820 Approved
0.69 Remote Similarity NPD4822 Approved
0.6885 Remote Similarity NPD7503 Approved
0.6885 Remote Similarity NPD6908 Approved
0.6885 Remote Similarity NPD6909 Approved
0.687 Remote Similarity NPD4730 Approved
0.687 Remote Similarity NPD4729 Approved
0.6869 Remote Similarity NPD7145 Approved
0.6863 Remote Similarity NPD7154 Phase 3
0.6863 Remote Similarity NPD4788 Approved
0.6842 Remote Similarity NPD4768 Approved
0.6842 Remote Similarity NPD4767 Approved
0.6833 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6832 Remote Similarity NPD6902 Approved
0.6832 Remote Similarity NPD5369 Approved
0.6827 Remote Similarity NPD4249 Approved
0.6822 Remote Similarity NPD7087 Discontinued
0.6822 Remote Similarity NPD5281 Approved
0.6822 Remote Similarity NPD5284 Approved
0.6822 Remote Similarity NPD5693 Phase 1
0.6814 Remote Similarity NPD4754 Approved
0.68 Remote Similarity NPD7645 Phase 2
0.6786 Remote Similarity NPD5344 Discontinued

Structure

External Identifiers

PubChem CID   11629176
ChEMBL   CHEMBL503931
ZINC  

Physicochemical Properties

Molecular Weight:  758.64
ALogP:  -2.1235
MLogP:  6.08
XLogP:  16.298
# Rotatable Bonds:  35
Polar Surface Area:  96.22
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  54

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General Info & Identifiers & Properties  
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Biological Activities  
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