Natural Product: NPC271138

Natural Product ID:  NPC271138
Common Name:   Nigaichigoside F1
IUPAC Name:   [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Synonyms:   Nigaichigoside F1
Molecular Formula:   C36H58O11
Standard InCHIKey:  WKKBYJLXSKPKSC-JVJIQXRHSA-N
Standard InCHI:  InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31+,32+,33-,34-,35-,36+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC(=O)[C@@]23CC[C@H]([C@@]([C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)C[C@H]([C@@H]([C@@]2(C)CO)O)O)(C)O)C)[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
NPO26261 Streptomyces tendae Species Streptomycetaceae Bacteria UNPD*
NPO1203 Solanum pseudoquina Species Solanaceae Eukaryota UNPD*
NPO7793 Matricaria matricarioides Species Asteraceae Eukaryota UNPD*
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota UNPD*
NPO26399 Crepidiastrum lanceolatum Species Asteraceae Eukaryota UNPD*
NPO8950 Stilpnopappus pickelii NA NA NA UNPD*
NPO25992 Lasallia papulosa Species Umbilicariaceae Eukaryota UNPD*
NPO7372 Rosa laevigata Species Rosaceae Eukaryota Leaves PMID[21384845]
NPO17179 Elizabethkingia meningoseptica Species Flavobacteriaceae Bacteria UNPD*
NPO19991 Mantella aurantiaca Species Mantellidae Eukaryota UNPD*
NPO3367 Cassytha racemosa Species Lauraceae Eukaryota UNPD*
NPO21493 Bunodosoma caissarum Species Actiniidae Eukaryota UNPD*
NPO9182 Lychnophora passerina Species Asteraceae Eukaryota UNPD*
NPO5214 Machaerium nictitans Species Fabaceae Eukaryota UNPD*
NPO2663 Casimiroa tetrameria Species Rutaceae Eukaryota UNPD*
NPO29628 Rubi fructus NA NA NA TCMSP*
NPO7372 Rosa laevigata Species Rosaceae Eukaryota UNPD*
NPO25649 Calliandra haematocephala Species Fabaceae Eukaryota UNPD*
NPO1541 Clusia ellipticifolia Species Clusiidae Eukaryota UNPD*
NPO26422 Rubus chingii Species Rosaceae Eukaryota TM-MC*
NPO26048 Grateloupia elliptica Species Halymeniaceae Eukaryota UNPD*
NPO18930 Rubus coreanus Species Rosaceae Eukaryota TM-MC*
NPO5166 Adonis sutchuenensis Species Ranunculaceae Eukaryota UNPD*
NPO19774 Rubus idaeus Species Rosaceae Eukaryota TCMID*
NPO8132 Fritillaria meleagris Species Liliaceae Eukaryota UNPD*
NPO28375 Pygeum topengii Species Rosaceae Eukaryota TCMID*
NPO15275 Briareum asbestinum Species Briareidae Eukaryota UNPD*
NPO8433 Bongardia chrysogonum Species Berberidaceae Eukaryota UNPD*
NPO12320 Adonis amurensis Species Ranunculaceae Eukaryota TCMID*
NPO11165 Spirographis spallanzani NA NA NA UNPD*
NPO643 Astragalus ernestii Species Fabaceae Eukaryota UNPD*
NPO11222 Rubus alceifolius Species Rosaceae Eukaryota TCMID*
NPO2977 Colletotrichum lagenaria Species Glomerellaceae Eukaryota UNPD*
NPO9388 Heliomeris multiflora Species Asteraceae Eukaryota UNPD*
NPO26283 Streptomyces djakartensis Species Streptomycetaceae Bacteria UNPD*
NPO30384 Combretum quadrangulare Species Combretaceae Eukaryota Seeds PMID[11277757]
NPO2008 Streptomyces ehimensis Species Streptomycetaceae Bacteria UNPD*
NPO1396 Cladogynos orientalis NA NA NA UNPD*
NPO6741 Metasequoia glyptostroboides Species Cupressaceae Eukaryota UNPD*
NPO5339 Isophysis tasmanica Species Iridaceae Eukaryota UNPD*
NPO4836 Sideritis arborescens Species Lamiaceae Eukaryota UNPD*
NPO117 Acacia armata Species Fabaceae Eukaryota UNPD*
NPO28950 Angelonia integerrima Species Plantaginaceae Eukaryota UNPD*
NPO2323 Plantago lundborgii Species Plantaginaceae Eukaryota UNPD*
NPO10980 Petasites japonicus Species Asteraceae Eukaryota UNPD*
NPO1049 Tethya amamensis Species Tethyidae Eukaryota UNPD*
NPO25765 Dryopteris aemula Species Dryopteridaceae Eukaryota UNPD*
NPO4318 Aspergillus cristatus Species Aspergillaceae Eukaryota UNPD*
NPO21211 Penicillium stipitatum Species Aspergillaceae Eukaryota UNPD*
NPO1507 Cissus quinquefolia Species Vitaceae Eukaryota UNPD*
NPO4855 Colchicum speciosum Species Colchicaceae Eukaryota UNPD*
NPO3868 Senecio sinuatus Species Asteraceae Eukaryota UNPD*
NPO25140 Triadica sebifera Species Euphorbiaceae Eukaryota UNPD*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota UNPD*
NPO3445 Dumoria heckeli NA NA NA UNPD*
NPO24698 Protium unifoliolatum Species Burseraceae Eukaryota UNPD*
NPO1706 Eragrostis curvula Species Poaceae Eukaryota UNPD*
NPO26345 Sideroxylon tomentosum Species Sapotaceae Eukaryota UNPD*
NPO8306 Berneuxia thibetica Species Diapensiaceae Eukaryota UNPD*
NPO13682 Lonchocarpus laxiflorus Species Fabaceae Eukaryota UNPD*
NPO25339 Trillium smallii Species Melanthiaceae Eukaryota UNPD*
NPO18564 Ligularia dentata Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus ID50 = 4.6 umol/kg 10479322
NPT32 Organism Mus musculus Mus musculus Inhibition = 67.6 % 10479322
NPT32 Organism Mus musculus Mus musculus ID50 = 3.9 umol/kg 10479322
NPT32 Organism Mus musculus Mus musculus Inhibition = 70.4 % 10479322
NPT32 Organism Mus musculus Mus musculus ID50 = 4.1 umol/kg 10479322
NPT32 Organism Mus musculus Mus musculus Inhibition = 94 % 10479322
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 24.9 % 17274628

  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 NPC271138 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 NPC269315
0.9904 High Similarity NPC116794
0.9904 High Similarity NPC37739
0.9904 High Similarity NPC46388
0.981 High Similarity NPC47063
0.981 High Similarity NPC204458
0.981 High Similarity NPC138334
0.981 High Similarity NPC189884
0.9808 High Similarity NPC191763
0.9717 High Similarity NPC475633
0.9714 High Similarity NPC256798
0.9714 High Similarity NPC128925
0.9712 High Similarity NPC102914
0.9712 High Similarity NPC7870
0.9712 High Similarity NPC75747
0.9712 High Similarity NPC68419
0.9712 High Similarity NPC108709
0.9712 High Similarity NPC110139
0.9712 High Similarity NPC274507
0.9712 High Similarity NPC199457
0.9626 High Similarity NPC160415
0.9626 High Similarity NPC58448
0.9619 High Similarity NPC108748
0.9619 High Similarity NPC211798
0.9619 High Similarity NPC473481
0.9619 High Similarity NPC297208
0.9619 High Similarity NPC30397
0.9619 High Similarity NPC235841
0.9619 High Similarity NPC179434
0.9615 High Similarity NPC237503
0.9615 High Similarity NPC167383
0.9615 High Similarity NPC306746
0.9615 High Similarity NPC204407
0.9615 High Similarity NPC57362
0.9615 High Similarity NPC127853
0.9537 High Similarity NPC68175
0.9528 High Similarity NPC473383
0.9528 High Similarity NPC139894
0.9528 High Similarity NPC48249
0.9524 High Similarity NPC476880
0.9524 High Similarity NPC174679
0.9524 High Similarity NPC164194
0.9524 High Similarity NPC476881
0.9524 High Similarity NPC90856
0.9524 High Similarity NPC270667
0.9524 High Similarity NPC476886
0.9524 High Similarity NPC29069
0.9524 High Similarity NPC475296
0.9524 High Similarity NPC476883
0.9524 High Similarity NPC220984
0.9524 High Similarity NPC127056
0.9524 High Similarity NPC56713
0.9524 High Similarity NPC136877
0.9524 High Similarity NPC476885
0.9524 High Similarity NPC476887
0.9524 High Similarity NPC476884
0.9524 High Similarity NPC476882
0.9524 High Similarity NPC474589
0.9524 High Similarity NPC279554
0.9524 High Similarity NPC59804
0.9519 High Similarity NPC177246
0.9519 High Similarity NPC476123
0.9519 High Similarity NPC285576
0.9519 High Similarity NPC284807
0.9519 High Similarity NPC28198
0.945 High Similarity NPC36831
0.9444 High Similarity NPC161674
0.9444 High Similarity NPC471384
0.9439 High Similarity NPC73318
0.9439 High Similarity NPC258885
0.9439 High Similarity NPC134835
0.9439 High Similarity NPC96641
0.9439 High Similarity NPC475208
0.9439 High Similarity NPC150400
0.9439 High Similarity NPC124296
0.9439 High Similarity NPC238935
0.9439 High Similarity NPC163183
0.9439 High Similarity NPC473343
0.9434 High Similarity NPC31839
0.9434 High Similarity NPC164419
0.9429 High Similarity NPC137917
0.9423 High Similarity NPC283849
0.9423 High Similarity NPC473538
0.9358 High Similarity NPC110633
0.9358 High Similarity NPC148417
0.9358 High Similarity NPC300419
0.9358 High Similarity NPC136768
0.9346 High Similarity NPC109079
0.9346 High Similarity NPC101744
0.9346 High Similarity NPC324875
0.9346 High Similarity NPC10320
0.9346 High Similarity NPC471383
0.9346 High Similarity NPC102439
0.9346 High Similarity NPC212968
0.9346 High Similarity NPC104071
0.9346 High Similarity NPC80843
0.9346 High Similarity NPC79718
0.9346 High Similarity NPC469946
0.9346 High Similarity NPC471967
0.9346 High Similarity NPC1046
0.9346 High Similarity NPC475516
0.9346 High Similarity NPC139044
0.9346 High Similarity NPC104400
0.9346 High Similarity NPC292677
0.9346 High Similarity NPC125923
0.9346 High Similarity NPC475504
0.9346 High Similarity NPC65590
0.9346 High Similarity NPC64106
0.9346 High Similarity NPC276093
0.9346 High Similarity NPC257468
0.9346 High Similarity NPC473373
0.934 High Similarity NPC269095
0.934 High Similarity NPC78046
0.934 High Similarity NPC242611
0.9327 High Similarity NPC475611
0.9279 High Similarity NPC473645
0.9279 High Similarity NPC268184
0.9273 High Similarity NPC475899
0.9266 High Similarity NPC37134
0.9266 High Similarity NPC291903
0.9259 High Similarity NPC219180
0.9259 High Similarity NPC475287
0.9259 High Similarity NPC475467
0.9259 High Similarity NPC473826
0.9259 High Similarity NPC192600
0.9259 High Similarity NPC166422
0.9259 High Similarity NPC114304
0.9259 High Similarity NPC174720
0.9259 High Similarity NPC241909
0.9259 High Similarity NPC155410
0.9259 High Similarity NPC295823
0.9259 High Similarity NPC114287
0.9259 High Similarity NPC151543
0.9259 High Similarity NPC133818
0.9259 High Similarity NPC323341
0.9259 High Similarity NPC309714
0.9259 High Similarity NPC251263
0.9259 High Similarity NPC46665
0.9252 High Similarity NPC190837
0.9196 High Similarity NPC75417
0.9189 High Similarity NPC471577
0.9189 High Similarity NPC477464
0.9182 High Similarity NPC475119
0.9182 High Similarity NPC471547
0.9182 High Similarity NPC473824
0.9182 High Similarity NPC473405
0.9174 High Similarity NPC294453
0.9174 High Similarity NPC67857
0.9174 High Similarity NPC227551
0.9174 High Similarity NPC76972
0.9174 High Similarity NPC293330
0.9174 High Similarity NPC250247
0.9174 High Similarity NPC71065
0.9174 High Similarity NPC119592
0.9174 High Similarity NPC298034
0.9174 High Similarity NPC54636
0.9174 High Similarity NPC79643
0.9174 High Similarity NPC4328
0.9174 High Similarity NPC475140
0.9174 High Similarity NPC164389
0.9174 High Similarity NPC261506
0.9174 High Similarity NPC57484
0.9174 High Similarity NPC471550
0.9174 High Similarity NPC202828
0.9174 High Similarity NPC476068
0.9174 High Similarity NPC123199
0.9174 High Similarity NPC41061
0.9174 High Similarity NPC305981
0.9174 High Similarity NPC309907
0.9174 High Similarity NPC471385
0.9174 High Similarity NPC60557
0.9174 High Similarity NPC236638
0.9174 High Similarity NPC224381
0.9174 High Similarity NPC161717
0.9174 High Similarity NPC70809
0.9174 High Similarity NPC102088
0.9174 High Similarity NPC204414
0.9174 High Similarity NPC473714
0.9174 High Similarity NPC469782
0.9174 High Similarity NPC43550
0.9174 High Similarity NPC65105
0.9174 High Similarity NPC475486
0.9174 High Similarity NPC100639
0.9174 High Similarity NPC475160
0.9167 High Similarity NPC100383
0.9167 High Similarity NPC161434
0.9167 High Similarity NPC195132
0.9159 High Similarity NPC475501
0.9143 High Similarity NPC477877
0.9107 High Similarity NPC153673
0.9107 High Similarity NPC142151
0.9107 High Similarity NPC37860
0.9107 High Similarity NPC110385
0.9107 High Similarity NPC267694
0.9107 High Similarity NPC144644
0.9099 High Similarity NPC232237
0.9099 High Similarity NPC105800
0.9099 High Similarity NPC109588
0.9099 High Similarity NPC237191
0.9099 High Similarity NPC471548

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC271138 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
0.9065 High Similarity NPD8132 Clinical (unspecified phase)
0.8839 High Similarity NPD8295 Clinical (unspecified phase)
0.8707 High Similarity NPD8328 Phase 3
0.8246 Intermediate Similarity NPD8133 Approved
0.8036 Intermediate Similarity NPD6412 Phase 2
0.7965 Intermediate Similarity NPD6686 Approved
0.7963 Intermediate Similarity NPD7902 Approved
0.7951 Intermediate Similarity NPD7507 Approved
0.7917 Intermediate Similarity NPD8033 Approved
0.785 Intermediate Similarity NPD7748 Approved
0.7833 Intermediate Similarity NPD8377 Approved
0.7833 Intermediate Similarity NPD8294 Approved
0.7769 Intermediate Similarity NPD8380 Approved
0.7769 Intermediate Similarity NPD8335 Approved
0.7769 Intermediate Similarity NPD8378 Approved
0.7769 Intermediate Similarity NPD8513 Phase 3
0.7769 Intermediate Similarity NPD8379 Approved
0.7769 Intermediate Similarity NPD8296 Approved
0.7769 Intermediate Similarity NPD8515 Approved
0.7769 Intermediate Similarity NPD8517 Approved
0.7769 Intermediate Similarity NPD8516 Approved
0.776 Intermediate Similarity NPD7319 Approved
0.775 Intermediate Similarity NPD7516 Approved
0.7685 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7685 Intermediate Similarity NPD7900 Approved
0.768 Intermediate Similarity NPD7736 Approved
0.7667 Intermediate Similarity NPD7327 Approved
0.7667 Intermediate Similarity NPD7328 Approved
0.7664 Intermediate Similarity NPD7515 Phase 2
0.748 Intermediate Similarity NPD7503 Approved
0.746 Intermediate Similarity NPD8293 Discontinued
0.735 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD8035 Phase 2
0.7339 Intermediate Similarity NPD8034 Phase 2
0.7311 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.728 Intermediate Similarity NPD6370 Approved
0.7273 Intermediate Similarity NPD6399 Phase 3
0.725 Intermediate Similarity NPD8297 Approved
0.725 Intermediate Similarity NPD6882 Approved
0.7227 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD7492 Approved
0.7154 Intermediate Similarity NPD7115 Discovery
0.7154 Intermediate Similarity NPD6009 Approved
0.7143 Intermediate Similarity NPD6373 Approved
0.7143 Intermediate Similarity NPD6372 Approved
0.712 Intermediate Similarity NPD6319 Approved
0.712 Intermediate Similarity NPD6059 Approved
0.712 Intermediate Similarity NPD6054 Approved
0.7109 Intermediate Similarity NPD6616 Approved
0.7105 Intermediate Similarity NPD7638 Approved
0.7094 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD7078 Approved
0.7049 Intermediate Similarity NPD4632 Approved
0.7043 Intermediate Similarity NPD7639 Approved
0.7043 Intermediate Similarity NPD7640 Approved
0.7034 Intermediate Similarity NPD6402 Approved
0.7034 Intermediate Similarity NPD7128 Approved
0.7034 Intermediate Similarity NPD5739 Approved
0.7034 Intermediate Similarity NPD6675 Approved
0.7025 Intermediate Similarity NPD6650 Approved
0.7025 Intermediate Similarity NPD6649 Approved
0.7019 Intermediate Similarity NPD7645 Phase 2
0.6975 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6953 Remote Similarity NPD6067 Discontinued
0.6944 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6929 Remote Similarity NPD6016 Approved
0.6929 Remote Similarity NPD6015 Approved
0.6923 Remote Similarity NPD8074 Phase 3
0.6917 Remote Similarity NPD6899 Approved
0.6917 Remote Similarity NPD7320 Approved
0.6917 Remote Similarity NPD6881 Approved
0.6891 Remote Similarity NPD6008 Approved
0.6885 Remote Similarity NPD8130 Phase 1
0.6875 Remote Similarity NPD5988 Approved
0.6875 Remote Similarity NPD6411 Approved
0.6833 Remote Similarity NPD5697 Approved
0.6833 Remote Similarity NPD5701 Approved
0.681 Remote Similarity NPD4225 Approved
0.6803 Remote Similarity NPD6883 Approved
0.6803 Remote Similarity NPD7102 Approved
0.6803 Remote Similarity NPD7290 Approved
0.6797 Remote Similarity NPD6921 Approved
0.6786 Remote Similarity NPD46 Approved
0.6786 Remote Similarity NPD6698 Approved
0.6748 Remote Similarity NPD6869 Approved
0.6748 Remote Similarity NPD6847 Approved
0.6748 Remote Similarity NPD6617 Approved
0.6727 Remote Similarity NPD3618 Phase 1
0.6724 Remote Similarity NPD6084 Phase 2
0.6724 Remote Similarity NPD6083 Phase 2
0.6721 Remote Similarity NPD6014 Approved
0.6721 Remote Similarity NPD6013 Approved
0.6721 Remote Similarity NPD6012 Approved
0.6697 Remote Similarity NPD4786 Approved
0.6696 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6101 Approved
0.6692 Remote Similarity NPD7604 Phase 2
0.6667 Remote Similarity NPD3667 Approved
0.6667 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5983 Phase 2
0.6667 Remote Similarity NPD8171 Discontinued
0.6667 Remote Similarity NPD3573 Approved
0.6639 Remote Similarity NPD6011 Approved
0.6617 Remote Similarity NPD6033 Approved
0.6613 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6607 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6606 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6606 Remote Similarity NPD3669 Approved
0.6591 Remote Similarity NPD6336 Discontinued
0.6581 Remote Similarity NPD4755 Approved
0.6579 Remote Similarity NPD7983 Approved
0.6555 Remote Similarity NPD5344 Discontinued
0.6549 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6549 Remote Similarity NPD5328 Approved
0.6532 Remote Similarity NPD4634 Approved
0.6525 Remote Similarity NPD5696 Approved
0.6522 Remote Similarity NPD5778 Approved
0.6522 Remote Similarity NPD5779 Approved
0.6522 Remote Similarity NPD4202 Approved
0.65 Remote Similarity NPD7632 Discontinued
0.6481 Remote Similarity NPD7525 Registered
0.6471 Remote Similarity NPD4700 Approved
0.6471 Remote Similarity NPD5285 Approved
0.6471 Remote Similarity NPD5286 Approved
0.6471 Remote Similarity NPD4696 Approved
0.6435 Remote Similarity NPD6079 Approved
0.6429 Remote Similarity NPD6684 Approved
0.6429 Remote Similarity NPD7521 Approved
0.6429 Remote Similarity NPD6409 Approved
0.6429 Remote Similarity NPD7146 Approved
0.6429 Remote Similarity NPD5330 Approved
0.6429 Remote Similarity NPD7334 Approved
0.6423 Remote Similarity NPD8449 Approved
0.6422 Remote Similarity NPD1779 Approved
0.6422 Remote Similarity NPD1780 Approved
0.6414 Remote Similarity NPD7625 Phase 1
0.641 Remote Similarity NPD6356 Clinical (unspecified phase)
0.641 Remote Similarity NPD5695 Phase 3
0.6406 Remote Similarity NPD6940 Discontinued
0.6406 Remote Similarity NPD6274 Approved
0.6391 Remote Similarity NPD8342 Approved
0.6391 Remote Similarity NPD8340 Approved
0.6391 Remote Similarity NPD8341 Approved
0.6391 Remote Similarity NPD8299 Approved
0.6385 Remote Similarity NPD7100 Approved
0.6385 Remote Similarity NPD7101 Approved
0.6377 Remote Similarity NPD8450 Suspended
0.6372 Remote Similarity NPD7524 Approved
0.6364 Remote Similarity NPD5224 Approved
0.6364 Remote Similarity NPD4633 Approved
0.6364 Remote Similarity NPD5211 Phase 2
0.6364 Remote Similarity NPD5225 Approved
0.6364 Remote Similarity NPD5226 Approved
0.6357 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6356 Remote Similarity NPD4697 Phase 3
0.6343 Remote Similarity NPD8451 Approved
0.6341 Remote Similarity NPD4767 Approved
0.6341 Remote Similarity NPD4768 Approved
0.6316 Remote Similarity NPD5737 Approved
0.6316 Remote Similarity NPD6903 Approved
0.6316 Remote Similarity NPD6672 Approved
0.6311 Remote Similarity NPD5174 Approved
0.6311 Remote Similarity NPD5175 Approved
0.6308 Remote Similarity NPD7641 Discontinued
0.6308 Remote Similarity NPD6335 Approved
0.6299 Remote Similarity NPD6053 Discontinued
0.6296 Remote Similarity NPD8448 Approved
0.6296 Remote Similarity NPD6114 Approved
0.6296 Remote Similarity NPD6697 Approved
0.6296 Remote Similarity NPD6115 Approved
0.6296 Remote Similarity NPD6118 Approved
0.629 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6288 Remote Similarity NPD6909 Approved
0.6288 Remote Similarity NPD6908 Approved
0.6281 Remote Similarity NPD5223 Approved
0.6277 Remote Similarity NPD8390 Approved
0.6277 Remote Similarity NPD8392 Approved
0.6277 Remote Similarity NPD8391 Approved
0.627 Remote Similarity NPD6371 Approved
0.6261 Remote Similarity NPD4753 Phase 2
0.626 Remote Similarity NPD5141 Approved
0.625 Remote Similarity NPD3665 Phase 1
0.625 Remote Similarity NPD3668 Phase 3
0.625 Remote Similarity NPD3666 Approved
0.625 Remote Similarity NPD3133 Approved
0.624 Remote Similarity NPD4730 Approved
0.624 Remote Similarity NPD4729 Approved
0.6231 Remote Similarity NPD6317 Approved
0.6218 Remote Similarity NPD5221 Approved
0.6218 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6218 Remote Similarity NPD5222 Approved
0.6218 Remote Similarity NPD7839 Suspended
0.6207 Remote Similarity NPD7838 Discovery
0.6207 Remote Similarity NPD3168 Discontinued
0.6204 Remote Similarity NPD6116 Phase 1
0.6198 Remote Similarity NPD6648 Approved
0.6187 Remote Similarity NPD8338 Approved
0.6186 Remote Similarity NPD5282 Discontinued
0.6183 Remote Similarity NPD6314 Approved

Structure

External Identifiers

PubChem CID   16118969
ChEMBL   CHEMBL449365
ZINC  

Physicochemical Properties

Molecular Weight:  666.40
ALogP:  -2.1731
MLogP:  4.21
XLogP:  3.957
# Rotatable Bonds:  19
Polar Surface Area:  197.37
# H-Bond Aceptor:  11
# H-Bond Donor:  8
# Rings:  6
# Heavy Atoms:  47

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