Natural Product: NPC169818

Natural Product ID:  NPC169818
Common Name:   Taccalonolide Aa
IUPAC Name:  
Synonyms:   Taccalonolide AA
Molecular Formula:   C38H48O16
Standard InCHIKey:  XDBCKYNLFHSOPR-LKTKDFSHSA-N
Standard InCHI:  InChI=1S/C38H48O16/c1-13-11-20-35(8,37(10,46)33(45)54-20)25-22(13)34(7)23(28(25)49-15(3)40)21-24(29(50-16(4)41)31(34)51-17(5)42)36(9)32(52-18(6)43)26-19(53-26)12-38(36,47)30(44)27(21)48-14(2)39/h11,13,19,21-29,31-32,46-47H,12H2,1-10H3/t13-,19+,21+,22+,23-,24-,25+,26+,27-,28-,29+,31+,32+,34-,35+,36+,37-,38+/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@@]2(C)[C@H]([C@H]3[C@H]1[C@@]1(C)[C@@H](OC(=O)C)[C@H]4O[C@H]4C[C@@]1(C(=O)[C@@H]3OC(=O)C)O)[C@H]([C@@H]1[C@@H]2[C@H](C)C=C2[C@]1(C)[C@](C)(O)C(=O)O2)OC(=O)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
NPO14018 Pleurotus salmoneostramineus Species Pleurotaceae Eukaryota UNPD*
NPO12186 Opopanax chironium Species Apiaceae Eukaryota UNPD*
NPO10094 Daphne gnidioides Species Thymelaeaceae Eukaryota UNPD*
NPO13426 Lemmaphyllum microphyllum Species Polypodiaceae Eukaryota UNPD*
NPO9487 Penicillium flexuosum Species Aspergillaceae Eukaryota UNPD*
NPO11909 Othonna arborescens Species Asteraceae Eukaryota UNPD*
NPO7143 Acacia jacquemontii Species Fabaceae Eukaryota UNPD*
NPO3227 Androsace umbellata Species Primulaceae Eukaryota UNPD*
NPO12093 Papaver orientale Species Papaveraceae Eukaryota UNPD*
NPO11396 Metzgeria furcata Species Metzgeriaceae Eukaryota UNPD*
NPO13332 Tacca chantrieri Species Taccaceae Eukaryota UNPD*
NPO9126 Stevia maimarensis Species Asteraceae Eukaryota UNPD*
NPO1576 Anthriscus sylvestris Species Apiaceae Eukaryota UNPD*
NPO6266 Anzia hypoleucoides Species Parmeliaceae Eukaryota UNPD*
NPO13723 Salvia eriophora Species Lamiaceae Eukaryota UNPD*
NPO13332 Tacca chantrieri Species Taccaceae Eukaryota TCMID*
NPO11753 Sideroxylon foetidissimum Species Sapotaceae Eukaryota UNPD*
NPO13527 Solanum ecuadorense Species Solanaceae Eukaryota UNPD*
NPO14634 Artemisia balchanorum Species Asteraceae Eukaryota UNPD*
NPO1133 Zieria laevigata Species Rutaceae Eukaryota UNPD*
NPO10695 Pelargonium zonale Species Geraniaceae Eukaryota UNPD*
NPO5551 Podocarpus sylvestris Species Podocarpaceae Eukaryota UNPD*
NPO11157 Corydalis saxicola Species Papaveraceae Eukaryota UNPD*
NPO12268 Aloe littoralis Species Asphodelaceae Eukaryota UNPD*
NPO11585 Geijera salicifolia Species Rutaceae Eukaryota UNPD*
NPO8399 Psiadia trinervia Species Asteraceae Eukaryota UNPD*
NPO14308 Coleonema pulchrum Species Rutaceae Eukaryota UNPD*
NPO13831 Cephalotaxus oliveri Species Taxaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT165 Cell Line HeLa Homo sapiens IC50 = 32.3 nM 21800839
NPT165 Cell Line HeLa Homo sapiens IC50 = 32 nM 24959756

  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 NPC169818 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
0.9912 High Similarity NPC267822
0.9739 High Similarity NPC135038
0.9739 High Similarity NPC43252
0.9652 High Similarity NPC65858
0.8547 High Similarity NPC280782
0.8525 High Similarity NPC222688
0.8347 Intermediate Similarity NPC324253
0.8333 Intermediate Similarity NPC251236
0.8333 Intermediate Similarity NPC40632
0.8333 Intermediate Similarity NPC96312
0.8333 Intermediate Similarity NPC328374
0.8281 Intermediate Similarity NPC473805
0.8281 Intermediate Similarity NPC473519
0.825 Intermediate Similarity NPC473798
0.824 Intermediate Similarity NPC473255
0.8235 Intermediate Similarity NPC90769
0.8217 Intermediate Similarity NPC102015
0.8211 Intermediate Similarity NPC471406
0.8205 Intermediate Similarity NPC94529
0.819 Intermediate Similarity NPC475571
0.8182 Intermediate Similarity NPC474734
0.8167 Intermediate Similarity NPC202889
0.8167 Intermediate Similarity NPC49451
0.8145 Intermediate Similarity NPC477046
0.8145 Intermediate Similarity NPC102822
0.813 Intermediate Similarity NPC470777
0.813 Intermediate Similarity NPC473203
0.8125 Intermediate Similarity NPC231529
0.8125 Intermediate Similarity NPC470880
0.812 Intermediate Similarity NPC59530
0.8115 Intermediate Similarity NPC287343
0.8115 Intermediate Similarity NPC97908
0.8115 Intermediate Similarity NPC473590
0.8115 Intermediate Similarity NPC122033
0.8115 Intermediate Similarity NPC474654
0.8115 Intermediate Similarity NPC470854
0.811 Intermediate Similarity NPC470882
0.811 Intermediate Similarity NPC473253
0.8095 Intermediate Similarity NPC475194
0.8065 Intermediate Similarity NPC109973
0.8062 Intermediate Similarity NPC241008
0.8051 Intermediate Similarity NPC258323
0.8049 Intermediate Similarity NPC17772
0.8049 Intermediate Similarity NPC118638
0.8047 Intermediate Similarity NPC293623
0.8047 Intermediate Similarity NPC168899
0.8047 Intermediate Similarity NPC69273
0.8034 Intermediate Similarity NPC231530
0.8034 Intermediate Similarity NPC196528
0.8034 Intermediate Similarity NPC278628
0.8033 Intermediate Similarity NPC266728
0.8033 Intermediate Similarity NPC235539
0.8033 Intermediate Similarity NPC270958
0.8033 Intermediate Similarity NPC16081
0.8033 Intermediate Similarity NPC173686
0.8033 Intermediate Similarity NPC152199
0.8033 Intermediate Similarity NPC179626
0.8033 Intermediate Similarity NPC49492
0.8033 Intermediate Similarity NPC134869
0.8031 Intermediate Similarity NPC473635
0.8017 Intermediate Similarity NPC97002
0.8017 Intermediate Similarity NPC198539
0.8017 Intermediate Similarity NPC194100
0.8017 Intermediate Similarity NPC477266
0.8016 Intermediate Similarity NPC227397
0.8 Intermediate Similarity NPC310511
0.8 Intermediate Similarity NPC43775
0.7984 Intermediate Similarity NPC54614
0.7984 Intermediate Similarity NPC309096
0.7983 Intermediate Similarity NPC27814
0.7969 Intermediate Similarity NPC473265
0.7967 Intermediate Similarity NPC470775
0.7967 Intermediate Similarity NPC176513
0.7955 Intermediate Similarity NPC219058
0.7955 Intermediate Similarity NPC256618
0.7953 Intermediate Similarity NPC469790
0.7951 Intermediate Similarity NPC18547
0.7951 Intermediate Similarity NPC45218
0.7951 Intermediate Similarity NPC474906
0.7951 Intermediate Similarity NPC143268
0.7951 Intermediate Similarity NPC323821
0.7951 Intermediate Similarity NPC268238
0.7949 Intermediate Similarity NPC29705
0.7949 Intermediate Similarity NPC471293
0.7934 Intermediate Similarity NPC474516
0.7923 Intermediate Similarity NPC473838
0.7923 Intermediate Similarity NPC475389
0.792 Intermediate Similarity NPC251226
0.791 Intermediate Similarity NPC290746
0.791 Intermediate Similarity NPC79250
0.7907 Intermediate Similarity NPC295220
0.7907 Intermediate Similarity NPC475636
0.7903 Intermediate Similarity NPC188667
0.7903 Intermediate Similarity NPC470776
0.7903 Intermediate Similarity NPC297179
0.7903 Intermediate Similarity NPC204552
0.7891 Intermediate Similarity NPC47113
0.7891 Intermediate Similarity NPC174367
0.7886 Intermediate Similarity NPC470628
0.7886 Intermediate Similarity NPC474046
0.7886 Intermediate Similarity NPC207217
0.7886 Intermediate Similarity NPC259306
0.7879 Intermediate Similarity NPC475376
0.7874 Intermediate Similarity NPC18945
0.7874 Intermediate Similarity NPC105926
0.7874 Intermediate Similarity NPC265557
0.7874 Intermediate Similarity NPC473979
0.7874 Intermediate Similarity NPC91693
0.7869 Intermediate Similarity NPC208998
0.7869 Intermediate Similarity NPC108721
0.7869 Intermediate Similarity NPC73300
0.7869 Intermediate Similarity NPC317210
0.7869 Intermediate Similarity NPC962
0.7869 Intermediate Similarity NPC52634
0.7869 Intermediate Similarity NPC7921
0.7869 Intermediate Similarity NPC250109
0.7863 Intermediate Similarity NPC140723
0.7863 Intermediate Similarity NPC191892
0.7863 Intermediate Similarity NPC471855
0.7857 Intermediate Similarity NPC275675
0.7857 Intermediate Similarity NPC159456
0.7857 Intermediate Similarity NPC4021
0.7851 Intermediate Similarity NPC472003
0.784 Intermediate Similarity NPC469488
0.784 Intermediate Similarity NPC42673
0.784 Intermediate Similarity NPC475041
0.7829 Intermediate Similarity NPC305496
0.7823 Intermediate Similarity NPC471854
0.7815 Intermediate Similarity NPC165873
0.7815 Intermediate Similarity NPC3316
0.7815 Intermediate Similarity NPC144854
0.7812 Intermediate Similarity NPC24651
0.7812 Intermediate Similarity NPC476729
0.7805 Intermediate Similarity NPC470919
0.7805 Intermediate Similarity NPC469877
0.7805 Intermediate Similarity NPC326542
0.7803 Intermediate Similarity NPC475487
0.7797 Intermediate Similarity NPC65523
0.7797 Intermediate Similarity NPC328737
0.7795 Intermediate Similarity NPC312833
0.7795 Intermediate Similarity NPC269642
0.7795 Intermediate Similarity NPC131824
0.7795 Intermediate Similarity NPC170538
0.7787 Intermediate Similarity NPC472002
0.7787 Intermediate Similarity NPC207251
0.7787 Intermediate Similarity NPC71348
0.7787 Intermediate Similarity NPC289312
0.7787 Intermediate Similarity NPC11252
0.7787 Intermediate Similarity NPC170487
0.7778 Intermediate Similarity NPC473928
0.7778 Intermediate Similarity NPC112038
0.7778 Intermediate Similarity NPC143755
0.7778 Intermediate Similarity NPC477054
0.7778 Intermediate Similarity NPC154491
0.7778 Intermediate Similarity NPC478051
0.7778 Intermediate Similarity NPC268530
0.7778 Intermediate Similarity NPC241192
0.7769 Intermediate Similarity NPC476078
0.7769 Intermediate Similarity NPC476091
0.7769 Intermediate Similarity NPC5284
0.7769 Intermediate Similarity NPC188291
0.776 Intermediate Similarity NPC311554
0.776 Intermediate Similarity NPC257457
0.776 Intermediate Similarity NPC251310
0.7752 Intermediate Similarity NPC293112
0.7752 Intermediate Similarity NPC104427
0.7752 Intermediate Similarity NPC273962
0.7752 Intermediate Similarity NPC93368
0.7752 Intermediate Similarity NPC87662
0.7752 Intermediate Similarity NPC477745
0.775 Intermediate Similarity NPC293850
0.775 Intermediate Similarity NPC192813
0.775 Intermediate Similarity NPC154608
0.775 Intermediate Similarity NPC277017
0.7744 Intermediate Similarity NPC470117
0.7744 Intermediate Similarity NPC478069
0.7742 Intermediate Similarity NPC298278
0.7734 Intermediate Similarity NPC256983
0.7734 Intermediate Similarity NPC478066
0.7734 Intermediate Similarity NPC120724
0.7734 Intermediate Similarity NPC67251
0.7734 Intermediate Similarity NPC11895
0.7734 Intermediate Similarity NPC228701
0.7734 Intermediate Similarity NPC476542
0.7731 Intermediate Similarity NPC470587
0.7731 Intermediate Similarity NPC50535
0.7731 Intermediate Similarity NPC472655
0.7731 Intermediate Similarity NPC477877
0.7727 Intermediate Similarity NPC42206
0.7727 Intermediate Similarity NPC6274
0.7727 Intermediate Similarity NPC33378
0.7727 Intermediate Similarity NPC254146
0.7717 Intermediate Similarity NPC470921
0.7717 Intermediate Similarity NPC476543
0.7717 Intermediate Similarity NPC476544
0.7717 Intermediate Similarity NPC249553
0.7717 Intermediate Similarity NPC476545
0.7717 Intermediate Similarity NPC182900
0.7717 Intermediate Similarity NPC42675
0.7717 Intermediate Similarity NPC470779

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC169818 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
0.7934 Intermediate Similarity NPD8297 Approved
0.7907 Intermediate Similarity NPD7736 Approved
0.7881 Intermediate Similarity NPD6008 Approved
0.7833 Intermediate Similarity NPD6373 Approved
0.7833 Intermediate Similarity NPD6372 Approved
0.7778 Intermediate Similarity NPD6319 Approved
0.775 Intermediate Similarity NPD7320 Approved
0.7731 Intermediate Similarity NPD6402 Approved
0.7731 Intermediate Similarity NPD5739 Approved
0.7731 Intermediate Similarity NPD6675 Approved
0.7731 Intermediate Similarity NPD7128 Approved
0.7705 Intermediate Similarity NPD6650 Approved
0.7705 Intermediate Similarity NPD6649 Approved
0.7692 Intermediate Similarity NPD8293 Discontinued
0.7674 Intermediate Similarity NPD7492 Approved
0.7638 Intermediate Similarity NPD6059 Approved
0.7638 Intermediate Similarity NPD6054 Approved
0.7615 Intermediate Similarity NPD6616 Approved
0.7603 Intermediate Similarity NPD6881 Approved
0.7603 Intermediate Similarity NPD6899 Approved
0.7581 Intermediate Similarity NPD4632 Approved
0.7561 Intermediate Similarity NPD8130 Phase 1
0.7557 Intermediate Similarity NPD7078 Approved
0.7521 Intermediate Similarity NPD5701 Approved
0.7521 Intermediate Similarity NPD5697 Approved
0.7519 Intermediate Similarity NPD6370 Approved
0.75 Intermediate Similarity NPD6882 Approved
0.748 Intermediate Similarity NPD6883 Approved
0.748 Intermediate Similarity NPD7290 Approved
0.748 Intermediate Similarity NPD7102 Approved
0.7462 Intermediate Similarity NPD8328 Phase 3
0.7462 Intermediate Similarity NPD7604 Phase 2
0.7459 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD6016 Approved
0.7442 Intermediate Similarity NPD6015 Approved
0.7419 Intermediate Similarity NPD6869 Approved
0.7419 Intermediate Similarity NPD6617 Approved
0.7419 Intermediate Similarity NPD6847 Approved
0.7402 Intermediate Similarity NPD6009 Approved
0.7402 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD6013 Approved
0.7398 Intermediate Similarity NPD6012 Approved
0.7398 Intermediate Similarity NPD6014 Approved
0.7395 Intermediate Similarity NPD1700 Approved
0.7385 Intermediate Similarity NPD5988 Approved
0.7348 Intermediate Similarity NPD7507 Approved
0.7317 Intermediate Similarity NPD6011 Approved
0.7313 Intermediate Similarity NPD7319 Approved
0.7308 Intermediate Similarity NPD5983 Phase 2
0.728 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD6336 Discontinued
0.72 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD7516 Approved
0.7143 Intermediate Similarity NPD4755 Approved
0.7143 Intermediate Similarity NPD6083 Phase 2
0.7143 Intermediate Similarity NPD6084 Phase 2
0.7132 Intermediate Similarity NPD7115 Discovery
0.712 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD6033 Approved
0.7094 Intermediate Similarity NPD6399 Phase 3
0.7083 Intermediate Similarity NPD5696 Approved
0.7077 Intermediate Similarity NPD7328 Approved
0.7077 Intermediate Similarity NPD7327 Approved
0.7063 Intermediate Similarity NPD4634 Approved
0.7054 Intermediate Similarity NPD6274 Approved
0.7025 Intermediate Similarity NPD4696 Approved
0.7025 Intermediate Similarity NPD5286 Approved
0.7025 Intermediate Similarity NPD5285 Approved
0.7025 Intermediate Similarity NPD4700 Approved
0.7023 Intermediate Similarity NPD7100 Approved
0.7023 Intermediate Similarity NPD7101 Approved
0.6975 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6975 Remote Similarity NPD5695 Phase 3
0.696 Remote Similarity NPD6412 Phase 2
0.696 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6947 Remote Similarity NPD6335 Approved
0.6935 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6917 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6917 Remote Similarity NPD8335 Approved
0.6917 Remote Similarity NPD6909 Approved
0.6917 Remote Similarity NPD8378 Approved
0.6917 Remote Similarity NPD8033 Approved
0.6917 Remote Similarity NPD6908 Approved
0.6917 Remote Similarity NPD8380 Approved
0.6917 Remote Similarity NPD8379 Approved
0.6917 Remote Similarity NPD6921 Approved
0.6917 Remote Similarity NPD8296 Approved
0.6911 Remote Similarity NPD5226 Approved
0.6911 Remote Similarity NPD5211 Phase 2
0.6911 Remote Similarity NPD5224 Approved
0.6911 Remote Similarity NPD5225 Approved
0.6911 Remote Similarity NPD4633 Approved
0.6899 Remote Similarity NPD8133 Approved
0.688 Remote Similarity NPD4767 Approved
0.688 Remote Similarity NPD4768 Approved
0.687 Remote Similarity NPD6317 Approved
0.6864 Remote Similarity NPD8034 Phase 2
0.6864 Remote Similarity NPD8035 Phase 2
0.686 Remote Similarity NPD7902 Approved
0.6855 Remote Similarity NPD5175 Approved
0.6855 Remote Similarity NPD5174 Approved
0.6842 Remote Similarity NPD8294 Approved
0.6842 Remote Similarity NPD8377 Approved
0.6829 Remote Similarity NPD5223 Approved
0.6822 Remote Similarity NPD6053 Discontinued
0.6818 Remote Similarity NPD6314 Approved
0.6818 Remote Similarity NPD6313 Approved
0.68 Remote Similarity NPD5141 Approved
0.6772 Remote Similarity NPD4730 Approved
0.6772 Remote Similarity NPD4729 Approved
0.675 Remote Similarity NPD7748 Approved
0.6724 Remote Similarity NPD6098 Approved
0.672 Remote Similarity NPD4754 Approved
0.6695 Remote Similarity NPD6673 Approved
0.6695 Remote Similarity NPD6080 Approved
0.6695 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD5248 Approved
0.6667 Remote Similarity NPD5247 Approved
0.6667 Remote Similarity NPD7503 Approved
0.6667 Remote Similarity NPD5250 Approved
0.6667 Remote Similarity NPD5249 Phase 3
0.6667 Remote Similarity NPD5251 Approved
0.6667 Remote Similarity NPD7638 Approved
0.6641 Remote Similarity NPD5128 Approved
0.6639 Remote Similarity NPD4697 Phase 3
0.6613 Remote Similarity NPD7640 Approved
0.6613 Remote Similarity NPD7639 Approved
0.6612 Remote Similarity NPD7900 Approved
0.6612 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6612 Remote Similarity NPD6001 Approved
0.661 Remote Similarity NPD7513 Clinical (unspecified phase)
0.661 Remote Similarity NPD6672 Approved
0.661 Remote Similarity NPD5737 Approved
0.6562 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6555 Remote Similarity NPD4753 Phase 2
0.6555 Remote Similarity NPD5328 Approved
0.6541 Remote Similarity NPD6868 Approved
0.6529 Remote Similarity NPD4202 Approved
0.6504 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6504 Remote Similarity NPD5222 Approved
0.6504 Remote Similarity NPD5221 Approved
0.6489 Remote Similarity NPD5216 Approved
0.6489 Remote Similarity NPD5217 Approved
0.6489 Remote Similarity NPD5215 Approved
0.6471 Remote Similarity NPD6903 Approved
0.6452 Remote Similarity NPD5173 Approved
0.6449 Remote Similarity NPD6067 Discontinued
0.6446 Remote Similarity NPD6050 Approved
0.6446 Remote Similarity NPD6079 Approved
0.6446 Remote Similarity NPD7515 Phase 2
0.6446 Remote Similarity NPD5693 Phase 1
0.6441 Remote Similarity NPD7334 Approved
0.6441 Remote Similarity NPD5330 Approved
0.6441 Remote Similarity NPD6409 Approved
0.6441 Remote Similarity NPD6684 Approved
0.6441 Remote Similarity NPD7146 Approved
0.6441 Remote Similarity NPD7521 Approved
0.6434 Remote Similarity NPD6845 Suspended
0.6423 Remote Similarity NPD8515 Approved
0.6423 Remote Similarity NPD8517 Approved
0.6423 Remote Similarity NPD8516 Approved
0.6423 Remote Similarity NPD8513 Phase 3
0.6423 Remote Similarity NPD4629 Approved
0.6423 Remote Similarity NPD5210 Approved
0.6412 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6412 Remote Similarity NPD5169 Approved
0.6412 Remote Similarity NPD5135 Approved
0.641 Remote Similarity NPD4786 Approved
0.6408 Remote Similarity NPD5956 Approved
0.6364 Remote Similarity NPD5692 Phase 3
0.6364 Remote Similarity NPD5127 Approved
0.6364 Remote Similarity NPD7260 Phase 2
0.6356 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6356 Remote Similarity NPD5329 Approved
0.6341 Remote Similarity NPD5282 Discontinued
0.6327 Remote Similarity NPD6333 Approved
0.6327 Remote Similarity NPD6334 Approved
0.6311 Remote Similarity NPD5284 Approved
0.6311 Remote Similarity NPD5694 Approved
0.6311 Remote Similarity NPD5281 Approved
0.6303 Remote Similarity NPD3618 Phase 1
0.6281 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6271 Remote Similarity NPD4197 Approved
0.626 Remote Similarity NPD6686 Approved
0.625 Remote Similarity NPD7632 Discontinued
0.6241 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6239 Remote Similarity NPD3667 Approved
0.623 Remote Similarity NPD5207 Approved
0.6228 Remote Similarity NPD7799 Discontinued
0.6222 Remote Similarity NPD5167 Approved
0.619 Remote Similarity NPD5959 Approved
0.6174 Remote Similarity NPD6118 Approved
0.6174 Remote Similarity NPD6114 Approved
0.6174 Remote Similarity NPD6697 Approved
0.6174 Remote Similarity NPD6115 Approved
0.6172 Remote Similarity NPD5344 Discontinued
0.6172 Remote Similarity NPD4159 Approved
0.6167 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6165 Remote Similarity NPD6371 Approved

Structure

External Identifiers

PubChem CID   53474112
ChEMBL   CHEMBL1821845
ZINC  

Physicochemical Properties

Molecular Weight:  760.29
ALogP:  -1.7387
MLogP:  3.88
XLogP:  1.504
# Rotatable Bonds:  22
Polar Surface Area:  227.86
# H-Bond Aceptor:  16
# H-Bond Donor:  2
# Rings:  7
# Heavy Atoms:  54

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Biological Activities  
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