Natural Product: NPC119036

Natural Product ID:  NPC119036
Common Name:   Bruguierin A
IUPAC Name:   [(1R,3S,5S,8R,9S,10R,13R,14R,17S)-1-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-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:  
Molecular Formula:   C48H86O4
Standard InCHIKey:  BCRQTNOYBAWCDF-XRYSTRTLSA-N
Standard InCHI:  InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-43(50)52-42-35-41(49)48(9)39(44(42,4)5)31-34-46(7)40(48)29-28-37-38(30-33-45(37,46)6)47(8,51)32-25-26-36(2)3/h26,37-42,49,51H,10-25,27-35H2,1-9H3/t37-,38+,39+,40+,41-,42+,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@](CCC=C(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
NPO9189 Streptomyces atratus Species Streptomycetaceae Bacteria UNPD*
NPO17218 Helichrysum nudifolium Species Asteraceae Eukaryota UNPD*
NPO17339 Macaranga sinensis Species Euphorbiaceae Eukaryota UNPD*
NPO2155 Tephroseris integrifolia Species Asteraceae Eukaryota UNPD*
NPO15919 Streptomyces caelestis Species Streptomycetaceae Bacteria UNPD*
NPO7905 Lepista irina Species Tricholomataceae Eukaryota UNPD*
NPO16695 Fumaria kraliki Species Papaveraceae Eukaryota UNPD*
NPO2550 Trichoderma citrinum Species Hypocreaceae Eukaryota UNPD*
NPO11408 Podocarpus amarus Species Podocarpaceae Eukaryota UNPD*
NPO84 Isoberlinia angolensis Species Fabaceae Eukaryota UNPD*
NPO17602 Arbutus menziesii Species Ericaceae Eukaryota UNPD*
NPO4336 Echiochilon pauciflorum Species Boraginaceae Eukaryota UNPD*
NPO21437 Rhododendron aureum Species Ericaceae Eukaryota UNPD*
NPO17304 Sipunculus nudus Species Sipunculidae Eukaryota UNPD*
NPO17999 Sonneratia alba Species Lythraceae Eukaryota UNPD*
NPO16455 Xylopia aethiopica Species Annonaceae Eukaryota UNPD*
NPO5119 Pseudomonas chlororaphis Species Pseudomonadaceae Bacteria UNPD*
NPO13789 Paranephelius uniflorus Species Asteraceae Eukaryota UNPD*
NPO15599 Daldinia concentrica Species Xylariaceae Eukaryota UNPD*
NPO16215 Umbilicaria cinereorufescens Species Umbilicariaceae Eukaryota UNPD*
NPO25550 Buchenavia tetraphylla Species Combretaceae Eukaryota UNPD*
NPO17375 Ceramium botryocarpum Species Ceramiaceae Eukaryota UNPD*
NPO15004 Artemisia taurica Species Asteraceae Eukaryota UNPD*
NPO16812 Ajuga bracteosa Species Lamiaceae Eukaryota UNPD*
NPO16052 Chromodoris obsoleta Species Chromodorididae Eukaryota UNPD*
NPO33342 Bruguiera gymnorrhiza Species Rhizophoraceae Eukaryota PMID[16562850]
NPO14813 Agaricus silvaticus Species Agaricaceae Eukaryota UNPD*
NPO8010 Otostegia fruticosa Species Lamiaceae Eukaryota UNPD*
NPO10770 Ptilota pectinata Species Ceramiaceae Eukaryota UNPD*
NPO4507 Bruguiera gymnorhiza Species Rhizophoraceae Eukaryota UNPD*
NPO26788 Sophora viciifolia Species Fabaceae Eukaryota UNPD*
NPO16329 Potebniamyces gallicola Species Phacidiaceae Eukaryota UNPD*
NPO17071 Coeloseira pacifica Species Champiaceae Eukaryota UNPD*
NPO28319 Ulva prolifera Species Ulvaceae Eukaryota UNPD*
NPO17921 Allium monspessulanum Species Amaryllidaceae Eukaryota UNPD*
NPO11760 Teucrium orientale Species Lamiaceae Eukaryota UNPD*
NPO16456 Mirabilis jalapa Species Nyctaginaceae Eukaryota UNPD*
NPO28868 Pardachirus pavoninus Species Soleidae Eukaryota UNPD*
NPO9951 Hyella caespitosa Species Hyellaceae Bacteria UNPD*
NPO14002 Petalostemon purpureum Species Fabaceae Eukaryota UNPD*
NPO16923 Cereus chrysacanthus Species Sagartiidae Eukaryota UNPD*
NPO17844 Agaricus integer Species Agaricaceae Eukaryota UNPD*
NPO22097 Plakinastrella clathrata Species Plakinidae Eukaryota UNPD*
NPO18073 Justicia trinervia Species Acanthaceae Eukaryota UNPD*
NPO13013 Saccharothrix mutabilis Species Pseudonocardiaceae Bacteria UNPD*
NPO15748 Hypoxis nyasica Species Hypoxidaceae Eukaryota UNPD*
NPO15545 Veltheimia viridifolia Species Hyacinthaceae Eukaryota UNPD*
NPO16566 Cinnamosma madagascariensis Species Canellaceae Eukaryota UNPD*
NPO17145 Aegiceras corniculatum Species Primulaceae Eukaryota UNPD*
NPO14575 Periploca forrestii Species Cosmopterigidae Eukaryota UNPD*
NPO28821 Stichopus horrens Species Stichopodidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 = 370 nM 16562850
NPT65 Cell Line HepG2 Homo sapiens IC50 = 1400 nM 16562850
NPT65 Cell Line HepG2 Homo sapiens EC50 = 7800 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 NPC119036 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
0.967 High Similarity NPC279974
0.9375 High Similarity NPC222153
0.9167 High Similarity NPC477051
0.9167 High Similarity NPC477053
0.9167 High Similarity NPC477052
0.9072 High Similarity NPC477054
0.9053 High Similarity NPC476879
0.9053 High Similarity NPC476878
0.9022 High Similarity NPC471896
0.9 High Similarity NPC472219
0.9 High Similarity NPC472218
0.9 High Similarity NPC472217
0.8969 High Similarity NPC289670
0.8947 High Similarity NPC327788
0.8913 High Similarity NPC474704
0.8913 High Similarity NPC475921
0.8878 High Similarity NPC22388
0.8866 High Similarity NPC94906
0.8866 High Similarity NPC167974
0.8854 High Similarity NPC253586
0.8842 High Similarity NPC474727
0.8817 High Similarity NPC111585
0.8817 High Similarity NPC175628
0.8817 High Similarity NPC148414
0.8804 High Similarity NPC193360
0.88 High Similarity NPC278628
0.88 High Similarity NPC231530
0.8763 High Similarity NPC300179
0.8763 High Similarity NPC102426
0.8763 High Similarity NPC472028
0.8725 High Similarity NPC5475
0.8725 High Similarity NPC284828
0.8725 High Similarity NPC173905
0.8725 High Similarity NPC472216
0.8723 High Similarity NPC26888
0.8713 High Similarity NPC59530
0.871 High Similarity NPC474889
0.87 High Similarity NPC471293
0.8696 High Similarity NPC474684
0.8696 High Similarity NPC142361
0.8687 High Similarity NPC271980
0.8687 High Similarity NPC475558
0.8687 High Similarity NPC473788
0.8687 High Similarity NPC124544
0.8687 High Similarity NPC193934
0.8673 High Similarity NPC108371
0.8641 High Similarity NPC101450
0.8632 High Similarity NPC287118
0.8632 High Similarity NPC86368
0.8632 High Similarity NPC470224
0.8632 High Similarity NPC473690
0.8632 High Similarity NPC471902
0.8627 High Similarity NPC163216
0.8627 High Similarity NPC94529
0.8627 High Similarity NPC258323
0.8617 High Similarity NPC10274
0.8614 High Similarity NPC477877
0.8614 High Similarity NPC196528
0.8614 High Similarity NPC472655
0.8602 High Similarity NPC4309
0.86 High Similarity NPC312900
0.86 High Similarity NPC180204
0.86 High Similarity NPC112009
0.86 High Similarity NPC36688
0.8587 High Similarity NPC73038
0.8587 High Similarity NPC325594
0.8586 High Similarity NPC75941
0.8571 High Similarity NPC20479
0.8571 High Similarity NPC38296
0.8571 High Similarity NPC162459
0.8571 High Similarity NPC38471
0.8571 High Similarity NPC299963
0.8571 High Similarity NPC98837
0.8571 High Similarity NPC28864
0.8571 High Similarity NPC477854
0.8571 High Similarity NPC191565
0.8557 High Similarity NPC471903
0.8557 High Similarity NPC253115
0.8557 High Similarity NPC304899
0.8557 High Similarity NPC120708
0.8544 High Similarity NPC257082
0.8544 High Similarity NPC285298
0.8544 High Similarity NPC218853
0.8542 High Similarity NPC47853
0.8542 High Similarity NPC159365
0.8542 High Similarity NPC159410
0.8542 High Similarity NPC209662
0.8529 High Similarity NPC263729
0.8526 High Similarity NPC189520
0.8526 High Similarity NPC475416
0.8526 High Similarity NPC219516
0.8526 High Similarity NPC475708
0.8526 High Similarity NPC471901
0.8515 High Similarity NPC201763
0.8515 High Similarity NPC29705
0.8495 Intermediate Similarity NPC264005
0.8495 Intermediate Similarity NPC159046
0.8495 Intermediate Similarity NPC233836
0.8495 Intermediate Similarity NPC269360
0.8495 Intermediate Similarity NPC187376
0.8495 Intermediate Similarity NPC33768
0.8485 Intermediate Similarity NPC37047
0.8485 Intermediate Similarity NPC180733
0.8485 Intermediate Similarity NPC293866
0.8485 Intermediate Similarity NPC41971
0.8485 Intermediate Similarity NPC251680
0.8476 Intermediate Similarity NPC280782
0.8476 Intermediate Similarity NPC470063
0.8469 Intermediate Similarity NPC108078
0.8462 Intermediate Similarity NPC472215
0.8462 Intermediate Similarity NPC472214
0.8462 Intermediate Similarity NPC471037
0.8454 Intermediate Similarity NPC30677
0.8454 Intermediate Similarity NPC184848
0.8454 Intermediate Similarity NPC69548
0.8454 Intermediate Similarity NPC469329
0.8454 Intermediate Similarity NPC180557
0.8454 Intermediate Similarity NPC84383
0.8454 Intermediate Similarity NPC473415
0.8454 Intermediate Similarity NPC263135
0.8454 Intermediate Similarity NPC37787
0.8454 Intermediate Similarity NPC288906
0.8438 Intermediate Similarity NPC470376
0.8438 Intermediate Similarity NPC477855
0.8438 Intermediate Similarity NPC470375
0.8438 Intermediate Similarity NPC107674
0.8438 Intermediate Similarity NPC170220
0.8438 Intermediate Similarity NPC141497
0.8421 Intermediate Similarity NPC469400
0.8421 Intermediate Similarity NPC46758
0.8421 Intermediate Similarity NPC120840
0.8421 Intermediate Similarity NPC113989
0.8416 Intermediate Similarity NPC189588
0.8416 Intermediate Similarity NPC10232
0.8416 Intermediate Similarity NPC478057
0.8416 Intermediate Similarity NPC187302
0.8416 Intermediate Similarity NPC140723
0.8416 Intermediate Similarity NPC97487
0.8416 Intermediate Similarity NPC196471
0.8411 Intermediate Similarity NPC469794
0.8411 Intermediate Similarity NPC72772
0.8404 Intermediate Similarity NPC242864
0.84 Intermediate Similarity NPC46848
0.84 Intermediate Similarity NPC253886
0.84 Intermediate Similarity NPC121218
0.8387 Intermediate Similarity NPC2783
0.8387 Intermediate Similarity NPC155011
0.8387 Intermediate Similarity NPC55309
0.8387 Intermediate Similarity NPC474970
0.8387 Intermediate Similarity NPC28252
0.8387 Intermediate Similarity NPC12774
0.8384 Intermediate Similarity NPC470066
0.8384 Intermediate Similarity NPC477813
0.8384 Intermediate Similarity NPC58942
0.8384 Intermediate Similarity NPC260149
0.8384 Intermediate Similarity NPC470067
0.8384 Intermediate Similarity NPC78427
0.8384 Intermediate Similarity NPC16911
0.8384 Intermediate Similarity NPC470068
0.8384 Intermediate Similarity NPC89099
0.8381 Intermediate Similarity NPC250481
0.8381 Intermediate Similarity NPC285410
0.8381 Intermediate Similarity NPC263827
0.8367 Intermediate Similarity NPC173272
0.8367 Intermediate Similarity NPC477853
0.8367 Intermediate Similarity NPC471777
0.8367 Intermediate Similarity NPC54248
0.8367 Intermediate Similarity NPC200054
0.8367 Intermediate Similarity NPC329910
0.8367 Intermediate Similarity NPC29410
0.8367 Intermediate Similarity NPC276103
0.8367 Intermediate Similarity NPC327179
0.8352 Intermediate Similarity NPC472504
0.8351 Intermediate Similarity NPC474922
0.8351 Intermediate Similarity NPC23621
0.8351 Intermediate Similarity NPC78580
0.8351 Intermediate Similarity NPC277399
0.8351 Intermediate Similarity NPC184006
0.835 Intermediate Similarity NPC255387
0.835 Intermediate Similarity NPC131665
0.8333 Intermediate Similarity NPC160506
0.8333 Intermediate Similarity NPC285184
0.8333 Intermediate Similarity NPC86266
0.8333 Intermediate Similarity NPC77099
0.8333 Intermediate Similarity NPC110657
0.8333 Intermediate Similarity NPC212301
0.8333 Intermediate Similarity NPC297265
0.8333 Intermediate Similarity NPC470590
0.8333 Intermediate Similarity NPC60755
0.8317 Intermediate Similarity NPC214946
0.8317 Intermediate Similarity NPC88203
0.8317 Intermediate Similarity NPC148628
0.8317 Intermediate Similarity NPC170615
0.8317 Intermediate Similarity NPC246736
0.8317 Intermediate Similarity NPC275990
0.8317 Intermediate Similarity NPC76866
0.8317 Intermediate Similarity NPC476081
0.8317 Intermediate Similarity NPC286519
0.8317 Intermediate Similarity NPC304832
0.8316 Intermediate Similarity NPC84271

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC119036 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
0.8571 High Similarity NPD7638 Approved
0.8485 Intermediate Similarity NPD7640 Approved
0.8485 Intermediate Similarity NPD7639 Approved
0.8333 Intermediate Similarity NPD8034 Phase 2
0.8333 Intermediate Similarity NPD8035 Phase 2
0.828 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.8252 Intermediate Similarity NPD6675 Approved
0.8252 Intermediate Similarity NPD7128 Approved
0.8252 Intermediate Similarity NPD6402 Approved
0.8252 Intermediate Similarity NPD5739 Approved
0.8247 Intermediate Similarity NPD6399 Phase 3
0.8163 Intermediate Similarity NPD7748 Approved
0.81 Intermediate Similarity NPD6084 Phase 2
0.81 Intermediate Similarity NPD6083 Phase 2
0.8095 Intermediate Similarity NPD6899 Approved
0.8095 Intermediate Similarity NPD7320 Approved
0.8095 Intermediate Similarity NPD6881 Approved
0.8037 Intermediate Similarity NPD8130 Phase 1
0.8019 Intermediate Similarity NPD6373 Approved
0.8019 Intermediate Similarity NPD6372 Approved
0.8 Intermediate Similarity NPD5701 Approved
0.8 Intermediate Similarity NPD5697 Approved
0.7979 Intermediate Similarity NPD4786 Approved
0.7963 Intermediate Similarity NPD8297 Approved
0.7959 Intermediate Similarity NPD7515 Phase 2
0.7944 Intermediate Similarity NPD7290 Approved
0.7944 Intermediate Similarity NPD7102 Approved
0.7944 Intermediate Similarity NPD6883 Approved
0.7938 Intermediate Similarity NPD5328 Approved
0.7935 Intermediate Similarity NPD7525 Registered
0.7921 Intermediate Similarity NPD7902 Approved
0.7912 Intermediate Similarity NPD6697 Approved
0.7912 Intermediate Similarity NPD6118 Approved
0.7912 Intermediate Similarity NPD6115 Approved
0.7912 Intermediate Similarity NPD6114 Approved
0.787 Intermediate Similarity NPD6650 Approved
0.787 Intermediate Similarity NPD6617 Approved
0.787 Intermediate Similarity NPD6649 Approved
0.787 Intermediate Similarity NPD6869 Approved
0.787 Intermediate Similarity NPD6847 Approved
0.785 Intermediate Similarity NPD6013 Approved
0.785 Intermediate Similarity NPD6012 Approved
0.785 Intermediate Similarity NPD6014 Approved
0.7812 Intermediate Similarity NPD3618 Phase 1
0.7798 Intermediate Similarity NPD6882 Approved
0.7788 Intermediate Similarity NPD7632 Discontinued
0.7778 Intermediate Similarity NPD6079 Approved
0.7766 Intermediate Similarity NPD3667 Approved
0.7757 Intermediate Similarity NPD6011 Approved
0.7745 Intermediate Similarity NPD4755 Approved
0.7736 Intermediate Similarity NPD6008 Approved
0.7727 Intermediate Similarity NPD4632 Approved
0.7723 Intermediate Similarity NPD5695 Phase 3
0.7706 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.77 Intermediate Similarity NPD4202 Approved
0.7692 Intermediate Similarity NPD6117 Approved
0.767 Intermediate Similarity NPD5696 Approved
0.7653 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7653 Intermediate Similarity NPD5737 Approved
0.7653 Intermediate Similarity NPD6672 Approved
0.7632 Intermediate Similarity NPD6319 Approved
0.7629 Intermediate Similarity NPD7334 Approved
0.7629 Intermediate Similarity NPD7521 Approved
0.7629 Intermediate Similarity NPD5330 Approved
0.7629 Intermediate Similarity NPD7146 Approved
0.7629 Intermediate Similarity NPD6409 Approved
0.7629 Intermediate Similarity NPD6684 Approved
0.7627 Intermediate Similarity NPD7736 Approved
0.7624 Intermediate Similarity NPD7900 Approved
0.7624 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD6116 Phase 1
0.7607 Intermediate Similarity NPD7507 Approved
0.76 Intermediate Similarity NPD7637 Suspended
0.7596 Intermediate Similarity NPD5285 Approved
0.7596 Intermediate Similarity NPD5286 Approved
0.7596 Intermediate Similarity NPD4700 Approved
0.7596 Intermediate Similarity NPD4696 Approved
0.7576 Intermediate Similarity NPD4753 Phase 2
0.7568 Intermediate Similarity NPD8133 Approved
0.7563 Intermediate Similarity NPD7319 Approved
0.7549 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7542 Intermediate Similarity NPD8293 Discontinued
0.7523 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7522 Intermediate Similarity NPD6009 Approved
0.7522 Intermediate Similarity NPD7115 Discovery
0.7521 Intermediate Similarity NPD7492 Approved
0.75 Intermediate Similarity NPD6695 Phase 3
0.75 Intermediate Similarity NPD6412 Phase 2
0.7478 Intermediate Similarity NPD6054 Approved
0.7478 Intermediate Similarity NPD6059 Approved
0.7476 Intermediate Similarity NPD5221 Approved
0.7476 Intermediate Similarity NPD5222 Approved
0.7476 Intermediate Similarity NPD4697 Phase 3
0.7476 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD6903 Approved
0.7473 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD6616 Approved
0.7456 Intermediate Similarity NPD7327 Approved
0.7456 Intermediate Similarity NPD7328 Approved
0.7453 Intermediate Similarity NPD5224 Approved
0.7453 Intermediate Similarity NPD5211 Phase 2
0.7453 Intermediate Similarity NPD5225 Approved
0.7453 Intermediate Similarity NPD5226 Approved
0.7453 Intermediate Similarity NPD4633 Approved
0.7449 Intermediate Similarity NPD6098 Approved
0.7436 Intermediate Similarity NPD7604 Phase 2
0.7434 Intermediate Similarity NPD6274 Approved
0.7423 Intermediate Similarity NPD3666 Approved
0.7423 Intermediate Similarity NPD3133 Approved
0.7423 Intermediate Similarity NPD3665 Phase 1
0.7423 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD8379 Approved
0.7414 Intermediate Similarity NPD5983 Phase 2
0.7414 Intermediate Similarity NPD8296 Approved
0.7414 Intermediate Similarity NPD8378 Approved
0.7414 Intermediate Similarity NPD8380 Approved
0.7414 Intermediate Similarity NPD8335 Approved
0.7404 Intermediate Similarity NPD5173 Approved
0.74 Intermediate Similarity NPD6904 Approved
0.74 Intermediate Similarity NPD6080 Approved
0.74 Intermediate Similarity NPD6673 Approved
0.7395 Intermediate Similarity NPD7078 Approved
0.7391 Intermediate Similarity NPD7101 Approved
0.7391 Intermediate Similarity NPD7516 Approved
0.7391 Intermediate Similarity NPD7100 Approved
0.7383 Intermediate Similarity NPD5174 Approved
0.7383 Intermediate Similarity NPD5175 Approved
0.7374 Intermediate Similarity NPD7750 Discontinued
0.7364 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD5223 Approved
0.735 Intermediate Similarity NPD6370 Approved
0.7328 Intermediate Similarity NPD8294 Approved
0.7328 Intermediate Similarity NPD8377 Approved
0.732 Intermediate Similarity NPD4788 Approved
0.7315 Intermediate Similarity NPD5141 Approved
0.7311 Intermediate Similarity NPD6336 Discontinued
0.7304 Intermediate Similarity NPD6335 Approved
0.7297 Intermediate Similarity NPD4634 Approved
0.7297 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7281 Intermediate Similarity NPD6868 Approved
0.7273 Intermediate Similarity NPD6686 Approved
0.7273 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD8033 Approved
0.7265 Intermediate Similarity NPD6908 Approved
0.7265 Intermediate Similarity NPD6015 Approved
0.7265 Intermediate Similarity NPD6909 Approved
0.7265 Intermediate Similarity NPD6016 Approved
0.7263 Intermediate Similarity NPD7645 Phase 2
0.7255 Intermediate Similarity NPD6411 Approved
0.7248 Intermediate Similarity NPD4768 Approved
0.7248 Intermediate Similarity NPD4767 Approved
0.7245 Intermediate Similarity NPD3668 Phase 3
0.7222 Intermediate Similarity NPD4754 Approved
0.7217 Intermediate Similarity NPD6317 Approved
0.7216 Intermediate Similarity NPD4223 Phase 3
0.7216 Intermediate Similarity NPD4221 Approved
0.7212 Intermediate Similarity NPD4629 Approved
0.7212 Intermediate Similarity NPD5210 Approved
0.7204 Intermediate Similarity NPD7339 Approved
0.7204 Intermediate Similarity NPD6942 Approved
0.7203 Intermediate Similarity NPD5988 Approved
0.72 Intermediate Similarity NPD7524 Approved
0.7188 Intermediate Similarity NPD6931 Approved
0.7188 Intermediate Similarity NPD6930 Phase 2
0.7172 Intermediate Similarity NPD5329 Approved
0.7168 Intermediate Similarity NPD6053 Discontinued
0.7155 Intermediate Similarity NPD6313 Approved
0.7155 Intermediate Similarity NPD6314 Approved
0.7143 Intermediate Similarity NPD8328 Phase 3
0.7129 Intermediate Similarity NPD5208 Approved
0.7117 Intermediate Similarity NPD4729 Approved
0.7117 Intermediate Similarity NPD4730 Approved
0.7117 Intermediate Similarity NPD5128 Approved
0.7115 Intermediate Similarity NPD6001 Approved
0.71 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD5279 Phase 3
0.7087 Intermediate Similarity NPD5284 Approved
0.7087 Intermediate Similarity NPD5693 Phase 1
0.7087 Intermediate Similarity NPD5281 Approved
0.7087 Intermediate Similarity NPD6050 Approved
0.7083 Intermediate Similarity NPD6929 Approved
0.7071 Intermediate Similarity NPD4197 Approved
0.7069 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6051 Approved
0.7059 Intermediate Similarity NPD6101 Approved
0.7053 Intermediate Similarity NPD6932 Approved
0.703 Intermediate Similarity NPD3573 Approved
0.7027 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD3703 Phase 2
0.7019 Intermediate Similarity NPD5778 Approved
0.7019 Intermediate Similarity NPD5779 Approved
0.7009 Intermediate Similarity NPD4225 Approved
0.6991 Remote Similarity NPD5251 Approved
0.6991 Remote Similarity NPD5248 Approved
0.6991 Remote Similarity NPD5249 Phase 3
0.6991 Remote Similarity NPD5250 Approved
0.6991 Remote Similarity NPD5247 Approved

Structure

External Identifiers

PubChem CID   11513260
ChEMBL   CHEMBL504631
ZINC  

Physicochemical Properties

Molecular Weight:  726.65
ALogP:  -1.1366
MLogP:  6.3
XLogP:  17.702
# Rotatable Bonds:  33
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  52

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General Info & Identifiers & Properties  
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Biological Activities  
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