Natural Product: NPC65858

Natural Product ID:  NPC65858
Common Name:   Taccalonolide A
IUPAC Name:  
Synonyms:   Taccalonolide A
Molecular Formula:   C36H46O14
Standard InCHIKey:  PTTJLTMUKRRHAT-VJAKQJMOSA-N
Standard InCHI:  InChI=1S/C36H46O14/c1-12-10-19-35(8,36(9,44)32(43)50-19)24-21(12)34(7)22(28(24)45-13(2)37)20-23(29(46-14(3)38)31(34)48-16(5)40)33(6)17(25(41)26(20)42)11-18-27(49-18)30(33)47-15(4)39/h10,12,17-18,20-24,26-31,42,44H,11H2,1-9H3/t12-,17-,18+,20+,21+,22-,23-,24+,26-,27+,28-,29+,30+,31+,33+,34-,35+,36-/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1[C@H]2[C@@H]([C@@H](O)C(=O)[C@@H]3[C@]2(C)[C@@H](OC(=O)C)[C@H]2O[C@H]2C3)[C@H]2[C@@]([C@H]1OC(=O)C)(C)[C@H]1[C@H](C)C=C3[C@]([C@@H]1[C@@H]2OC(=O)C)(C)[C@](C)(O)C(=O)O3
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
NPO1133 Zieria laevigata Species Rutaceae Eukaryota UNPD*
NPO12268 Aloe littoralis Species Asphodelaceae Eukaryota UNPD*
NPO13332 Tacca chantrieri Species Taccaceae Eukaryota UNPD*
NPO11157 Corydalis saxicola Species Papaveraceae Eukaryota UNPD*
NPO1576 Anthriscus sylvestris Species Apiaceae Eukaryota UNPD*
NPO11396 Metzgeria furcata Species Metzgeriaceae Eukaryota UNPD*
NPO13527 Solanum ecuadorense Species Solanaceae Eukaryota UNPD*
NPO13831 Cephalotaxus oliveri Species Taxaceae Eukaryota UNPD*
NPO10695 Pelargonium zonale Species Geraniaceae Eukaryota UNPD*
NPO11753 Sideroxylon foetidissimum Species Sapotaceae Eukaryota UNPD*
NPO5551 Podocarpus sylvestris Species Podocarpaceae Eukaryota UNPD*
NPO3227 Androsace umbellata Species Primulaceae Eukaryota UNPD*
NPO14018 Pleurotus salmoneostramineus Species Pleurotaceae Eukaryota UNPD*
NPO14308 Coleonema pulchrum Species Rutaceae Eukaryota UNPD*
NPO9126 Stevia maimarensis Species Asteraceae Eukaryota UNPD*
NPO13332 Tacca chantrieri Species Taccaceae Eukaryota TCMID*
NPO11909 Othonna arborescens Species Asteraceae Eukaryota UNPD*
NPO6266 Anzia hypoleucoides Species Parmeliaceae Eukaryota UNPD*
NPO13723 Salvia eriophora Species Lamiaceae Eukaryota UNPD*
NPO9487 Penicillium flexuosum Species Aspergillaceae Eukaryota UNPD*
NPO10094 Daphne gnidioides Species Thymelaeaceae Eukaryota UNPD*
NPO14634 Artemisia balchanorum Species Asteraceae Eukaryota UNPD*
NPO8399 Psiadia trinervia Species Asteraceae Eukaryota UNPD*
NPO7143 Acacia jacquemontii Species Fabaceae Eukaryota UNPD*
NPO12093 Papaver orientale Species Papaveraceae Eukaryota UNPD*
NPO13426 Lemmaphyllum microphyllum Species Polypodiaceae Eukaryota UNPD*
NPO12186 Opopanax chironium Species Apiaceae Eukaryota UNPD*
NPO11585 Geijera salicifolia Species Rutaceae 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 = 594 nM 21800839
NPT32 Organism Mus musculus Mus musculus Activity = -16.7 % 21800839
NPT32 Organism Mus musculus Mus musculus Activity = -6.3 % 21800839
NPT32 Organism Mus musculus Mus musculus Activity = 20 % 21800839
NPT165 Cell Line HeLa Homo sapiens IC50 = 5320 nM 23855953
NPT165 Cell Line HeLa Homo sapiens IC50 = 5300 nM 24491636

  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 NPC65858 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 NPC135038
0.9912 High Similarity NPC43252
0.9737 High Similarity NPC267822
0.9652 High Similarity NPC169818
0.886 High Similarity NPC280782
0.8667 High Similarity NPC222688
0.8525 High Similarity NPC473255
0.8509 High Similarity NPC94529
0.85 High Similarity NPC471406
0.8487 Intermediate Similarity NPC324253
0.8475 Intermediate Similarity NPC96312
0.8475 Intermediate Similarity NPC251236
0.8475 Intermediate Similarity NPC40632
0.8475 Intermediate Similarity NPC328374
0.8462 Intermediate Similarity NPC49451
0.8421 Intermediate Similarity NPC59530
0.84 Intermediate Similarity NPC470880
0.839 Intermediate Similarity NPC473798
0.8387 Intermediate Similarity NPC470882
0.8387 Intermediate Similarity NPC473253
0.8347 Intermediate Similarity NPC109973
0.8333 Intermediate Similarity NPC196528
0.8333 Intermediate Similarity NPC278628
0.8333 Intermediate Similarity NPC231530
0.8319 Intermediate Similarity NPC266728
0.8319 Intermediate Similarity NPC49492
0.8319 Intermediate Similarity NPC474734
0.8305 Intermediate Similarity NPC202889
0.8305 Intermediate Similarity NPC97002
0.8305 Intermediate Similarity NPC194100
0.8279 Intermediate Similarity NPC477046
0.8279 Intermediate Similarity NPC102822
0.8268 Intermediate Similarity NPC473805
0.8268 Intermediate Similarity NPC473519
0.8264 Intermediate Similarity NPC473203
0.8264 Intermediate Similarity NPC470777
0.8254 Intermediate Similarity NPC231529
0.825 Intermediate Similarity NPC474654
0.825 Intermediate Similarity NPC470854
0.825 Intermediate Similarity NPC287343
0.825 Intermediate Similarity NPC97908
0.825 Intermediate Similarity NPC122033
0.825 Intermediate Similarity NPC473590
0.8246 Intermediate Similarity NPC471293
0.8246 Intermediate Similarity NPC29705
0.824 Intermediate Similarity NPC473265
0.8226 Intermediate Similarity NPC469790
0.8226 Intermediate Similarity NPC475194
0.822 Intermediate Similarity NPC474516
0.822 Intermediate Similarity NPC90769
0.8203 Intermediate Similarity NPC102015
0.8197 Intermediate Similarity NPC251226
0.819 Intermediate Similarity NPC258323
0.8182 Intermediate Similarity NPC118638
0.8182 Intermediate Similarity NPC17772
0.8175 Intermediate Similarity NPC168899
0.8175 Intermediate Similarity NPC69273
0.8175 Intermediate Similarity NPC293623
0.8174 Intermediate Similarity NPC475571
0.8167 Intermediate Similarity NPC152199
0.8167 Intermediate Similarity NPC173686
0.8167 Intermediate Similarity NPC179626
0.8167 Intermediate Similarity NPC16081
0.8167 Intermediate Similarity NPC134869
0.8167 Intermediate Similarity NPC235539
0.8167 Intermediate Similarity NPC270958
0.8167 Intermediate Similarity NPC207217
0.816 Intermediate Similarity NPC47113
0.816 Intermediate Similarity NPC473635
0.816 Intermediate Similarity NPC174367
0.8158 Intermediate Similarity NPC140723
0.8158 Intermediate Similarity NPC191892
0.8151 Intermediate Similarity NPC317210
0.8151 Intermediate Similarity NPC198539
0.8151 Intermediate Similarity NPC52634
0.8151 Intermediate Similarity NPC250109
0.8151 Intermediate Similarity NPC962
0.8145 Intermediate Similarity NPC227397
0.8136 Intermediate Similarity NPC472003
0.8136 Intermediate Similarity NPC43775
0.813 Intermediate Similarity NPC159456
0.813 Intermediate Similarity NPC4021
0.8125 Intermediate Similarity NPC471855
0.812 Intermediate Similarity NPC27814
0.8115 Intermediate Similarity NPC42673
0.8115 Intermediate Similarity NPC475041
0.8103 Intermediate Similarity NPC3316
0.8103 Intermediate Similarity NPC144854
0.8103 Intermediate Similarity NPC165873
0.8099 Intermediate Similarity NPC176513
0.8099 Intermediate Similarity NPC470775
0.8099 Intermediate Similarity NPC471854
0.8095 Intermediate Similarity NPC305496
0.8083 Intermediate Similarity NPC18547
0.8083 Intermediate Similarity NPC268238
0.8083 Intermediate Similarity NPC143268
0.8083 Intermediate Similarity NPC474906
0.8083 Intermediate Similarity NPC45218
0.8083 Intermediate Similarity NPC326542
0.8083 Intermediate Similarity NPC323821
0.8077 Intermediate Similarity NPC256618
0.8077 Intermediate Similarity NPC219058
0.807 Intermediate Similarity NPC477054
0.807 Intermediate Similarity NPC473928
0.8067 Intermediate Similarity NPC207251
0.8067 Intermediate Similarity NPC11252
0.8067 Intermediate Similarity NPC289312
0.8067 Intermediate Similarity NPC71348
0.8065 Intermediate Similarity NPC269642
0.8051 Intermediate Similarity NPC5284
0.8049 Intermediate Similarity NPC241192
0.8049 Intermediate Similarity NPC154491
0.8049 Intermediate Similarity NPC268530
0.8047 Intermediate Similarity NPC241008
0.8047 Intermediate Similarity NPC473838
0.8047 Intermediate Similarity NPC475389
0.8034 Intermediate Similarity NPC277017
0.8034 Intermediate Similarity NPC154608
0.8034 Intermediate Similarity NPC192813
0.8034 Intermediate Similarity NPC293850
0.8033 Intermediate Similarity NPC188667
0.8033 Intermediate Similarity NPC257457
0.8033 Intermediate Similarity NPC311554
0.8033 Intermediate Similarity NPC297179
0.8033 Intermediate Similarity NPC470776
0.8033 Intermediate Similarity NPC204552
0.8017 Intermediate Similarity NPC474046
0.8017 Intermediate Similarity NPC470587
0.8017 Intermediate Similarity NPC259306
0.8017 Intermediate Similarity NPC477877
0.8017 Intermediate Similarity NPC472655
0.8017 Intermediate Similarity NPC470628
0.8017 Intermediate Similarity NPC298278
0.8016 Intermediate Similarity NPC293112
0.8 Intermediate Similarity NPC105926
0.8 Intermediate Similarity NPC11895
0.8 Intermediate Similarity NPC475376
0.8 Intermediate Similarity NPC73300
0.8 Intermediate Similarity NPC208998
0.8 Intermediate Similarity NPC477266
0.8 Intermediate Similarity NPC18945
0.8 Intermediate Similarity NPC108721
0.8 Intermediate Similarity NPC91693
0.8 Intermediate Similarity NPC7921
0.8 Intermediate Similarity NPC473979
0.8 Intermediate Similarity NPC265557
0.7984 Intermediate Similarity NPC42206
0.7984 Intermediate Similarity NPC310511
0.7984 Intermediate Similarity NPC470921
0.7984 Intermediate Similarity NPC275675
0.7983 Intermediate Similarity NPC201992
0.7982 Intermediate Similarity NPC477052
0.7982 Intermediate Similarity NPC477053
0.7982 Intermediate Similarity NPC477051
0.7982 Intermediate Similarity NPC155974
0.7969 Intermediate Similarity NPC54614
0.7969 Intermediate Similarity NPC471407
0.7969 Intermediate Similarity NPC309096
0.7967 Intermediate Similarity NPC61520
0.7967 Intermediate Similarity NPC161738
0.7967 Intermediate Similarity NPC477071
0.7967 Intermediate Similarity NPC230513
0.7967 Intermediate Similarity NPC161065
0.7967 Intermediate Similarity NPC469488
0.7966 Intermediate Similarity NPC141350
0.7966 Intermediate Similarity NPC310546
0.7966 Intermediate Similarity NPC304495
0.7937 Intermediate Similarity NPC8369
0.7937 Intermediate Similarity NPC476729
0.7937 Intermediate Similarity NPC24651
0.7937 Intermediate Similarity NPC81736
0.7937 Intermediate Similarity NPC172154
0.7934 Intermediate Similarity NPC469877
0.7934 Intermediate Similarity NPC243354
0.7934 Intermediate Similarity NPC470919
0.7934 Intermediate Similarity NPC117712
0.7931 Intermediate Similarity NPC328737
0.7931 Intermediate Similarity NPC301787
0.7931 Intermediate Similarity NPC475036
0.7931 Intermediate Similarity NPC47281
0.7931 Intermediate Similarity NPC65523
0.792 Intermediate Similarity NPC312833
0.792 Intermediate Similarity NPC475431
0.792 Intermediate Similarity NPC28532
0.792 Intermediate Similarity NPC170538
0.7917 Intermediate Similarity NPC170487
0.7917 Intermediate Similarity NPC302146
0.7917 Intermediate Similarity NPC152117
0.7917 Intermediate Similarity NPC130427
0.7917 Intermediate Similarity NPC472002
0.7917 Intermediate Similarity NPC234042
0.7907 Intermediate Similarity NPC279478
0.7907 Intermediate Similarity NPC241935
0.7903 Intermediate Similarity NPC112038
0.7903 Intermediate Similarity NPC478051
0.7899 Intermediate Similarity NPC197428
0.7899 Intermediate Similarity NPC472214
0.7899 Intermediate Similarity NPC76084
0.7899 Intermediate Similarity NPC470065
0.7899 Intermediate Similarity NPC472215

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC65858 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
0.8067 Intermediate Similarity NPD8297 Approved
0.8031 Intermediate Similarity NPD7736 Approved
0.8017 Intermediate Similarity NPD6008 Approved
0.7966 Intermediate Similarity NPD6373 Approved
0.7966 Intermediate Similarity NPD6372 Approved
0.7903 Intermediate Similarity NPD6319 Approved
0.7881 Intermediate Similarity NPD7320 Approved
0.7863 Intermediate Similarity NPD6675 Approved
0.7863 Intermediate Similarity NPD6402 Approved
0.7863 Intermediate Similarity NPD7128 Approved
0.7863 Intermediate Similarity NPD5739 Approved
0.7851 Intermediate Similarity NPD4632 Approved
0.7833 Intermediate Similarity NPD6649 Approved
0.7833 Intermediate Similarity NPD6650 Approved
0.7812 Intermediate Similarity NPD8293 Discontinued
0.7795 Intermediate Similarity NPD7492 Approved
0.776 Intermediate Similarity NPD6059 Approved
0.776 Intermediate Similarity NPD6054 Approved
0.7734 Intermediate Similarity NPD6616 Approved
0.7731 Intermediate Similarity NPD6899 Approved
0.7731 Intermediate Similarity NPD6881 Approved
0.7686 Intermediate Similarity NPD8130 Phase 1
0.7674 Intermediate Similarity NPD7078 Approved
0.7647 Intermediate Similarity NPD5697 Approved
0.7647 Intermediate Similarity NPD5701 Approved
0.7638 Intermediate Similarity NPD6370 Approved
0.7623 Intermediate Similarity NPD6882 Approved
0.7603 Intermediate Similarity NPD6883 Approved
0.7603 Intermediate Similarity NPD7102 Approved
0.7603 Intermediate Similarity NPD7290 Approved
0.7597 Intermediate Similarity NPD7507 Approved
0.7583 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD7604 Phase 2
0.7559 Intermediate Similarity NPD6016 Approved
0.7559 Intermediate Similarity NPD6015 Approved
0.7557 Intermediate Similarity NPD7319 Approved
0.7541 Intermediate Similarity NPD6617 Approved
0.7541 Intermediate Similarity NPD6869 Approved
0.7541 Intermediate Similarity NPD6847 Approved
0.7521 Intermediate Similarity NPD6013 Approved
0.7521 Intermediate Similarity NPD6014 Approved
0.7521 Intermediate Similarity NPD6012 Approved
0.752 Intermediate Similarity NPD6009 Approved
0.752 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5988 Approved
0.7442 Intermediate Similarity NPD8328 Phase 3
0.7438 Intermediate Similarity NPD6011 Approved
0.7422 Intermediate Similarity NPD5983 Phase 2
0.7414 Intermediate Similarity NPD4755 Approved
0.7398 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD7115 Discovery
0.7377 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD6336 Discontinued
0.7317 Intermediate Similarity NPD4634 Approved
0.7288 Intermediate Similarity NPD4700 Approved
0.7288 Intermediate Similarity NPD4696 Approved
0.7288 Intermediate Similarity NPD5285 Approved
0.7288 Intermediate Similarity NPD5286 Approved
0.7266 Intermediate Similarity NPD7516 Approved
0.7265 Intermediate Similarity NPD6083 Phase 2
0.7265 Intermediate Similarity NPD6084 Phase 2
0.7236 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD1700 Approved
0.7218 Intermediate Similarity NPD6033 Approved
0.7217 Intermediate Similarity NPD6399 Phase 3
0.7213 Intermediate Similarity NPD6412 Phase 2
0.719 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7327 Approved
0.7188 Intermediate Similarity NPD7328 Approved
0.7177 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD5224 Approved
0.7167 Intermediate Similarity NPD4633 Approved
0.7167 Intermediate Similarity NPD5211 Phase 2
0.7167 Intermediate Similarity NPD5225 Approved
0.7167 Intermediate Similarity NPD5226 Approved
0.7165 Intermediate Similarity NPD6274 Approved
0.7154 Intermediate Similarity NPD8378 Approved
0.7154 Intermediate Similarity NPD8380 Approved
0.7154 Intermediate Similarity NPD8335 Approved
0.7154 Intermediate Similarity NPD8033 Approved
0.7154 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD8379 Approved
0.7154 Intermediate Similarity NPD8296 Approved
0.7132 Intermediate Similarity NPD7101 Approved
0.7132 Intermediate Similarity NPD7100 Approved
0.7131 Intermediate Similarity NPD4768 Approved
0.7131 Intermediate Similarity NPD4767 Approved
0.7107 Intermediate Similarity NPD5174 Approved
0.7107 Intermediate Similarity NPD5175 Approved
0.7094 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD5223 Approved
0.7077 Intermediate Similarity NPD8294 Approved
0.7077 Intermediate Similarity NPD8377 Approved
0.7063 Intermediate Similarity NPD6053 Discontinued
0.7059 Intermediate Similarity NPD5696 Approved
0.7054 Intermediate Similarity NPD6335 Approved
0.7049 Intermediate Similarity NPD5141 Approved
0.7023 Intermediate Similarity NPD6909 Approved
0.7023 Intermediate Similarity NPD6921 Approved
0.7023 Intermediate Similarity NPD6908 Approved
0.7016 Intermediate Similarity NPD4729 Approved
0.7016 Intermediate Similarity NPD4730 Approved
0.7008 Intermediate Similarity NPD8133 Approved
0.6983 Remote Similarity NPD8035 Phase 2
0.6983 Remote Similarity NPD8034 Phase 2
0.6977 Remote Similarity NPD6317 Approved
0.6975 Remote Similarity NPD7902 Approved
0.6967 Remote Similarity NPD4754 Approved
0.6949 Remote Similarity NPD5695 Phase 3
0.6935 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6314 Approved
0.6923 Remote Similarity NPD6313 Approved
0.6917 Remote Similarity NPD7638 Approved
0.6905 Remote Similarity NPD5249 Phase 3
0.6905 Remote Similarity NPD5250 Approved
0.6905 Remote Similarity NPD5251 Approved
0.6905 Remote Similarity NPD5248 Approved
0.6905 Remote Similarity NPD5247 Approved
0.6894 Remote Similarity NPD7503 Approved
0.6891 Remote Similarity NPD4697 Phase 3
0.688 Remote Similarity NPD5128 Approved
0.6864 Remote Similarity NPD7748 Approved
0.686 Remote Similarity NPD7639 Approved
0.686 Remote Similarity NPD7640 Approved
0.681 Remote Similarity NPD4753 Phase 2
0.681 Remote Similarity NPD5328 Approved
0.678 Remote Similarity NPD4202 Approved
0.675 Remote Similarity NPD5221 Approved
0.675 Remote Similarity NPD5220 Clinical (unspecified phase)
0.675 Remote Similarity NPD5222 Approved
0.6724 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6723 Remote Similarity NPD7900 Approved
0.6723 Remote Similarity NPD6001 Approved
0.6723 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6719 Remote Similarity NPD5216 Approved
0.6719 Remote Similarity NPD5215 Approved
0.6719 Remote Similarity NPD5217 Approved
0.6696 Remote Similarity NPD6098 Approved
0.6695 Remote Similarity NPD7515 Phase 2
0.6695 Remote Similarity NPD6079 Approved
0.6694 Remote Similarity NPD5173 Approved
0.6667 Remote Similarity NPD4629 Approved
0.6667 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD6080 Approved
0.6667 Remote Similarity NPD6067 Discontinued
0.6667 Remote Similarity NPD5210 Approved
0.6667 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4786 Approved
0.6667 Remote Similarity NPD6673 Approved
0.6642 Remote Similarity NPD8515 Approved
0.6642 Remote Similarity NPD8516 Approved
0.6642 Remote Similarity NPD8517 Approved
0.6642 Remote Similarity NPD8513 Phase 3
0.6641 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6641 Remote Similarity NPD5169 Approved
0.6641 Remote Similarity NPD5135 Approved
0.6641 Remote Similarity NPD6868 Approved
0.6609 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6589 Remote Similarity NPD5127 Approved
0.6581 Remote Similarity NPD6903 Approved
0.6581 Remote Similarity NPD5737 Approved
0.6581 Remote Similarity NPD6672 Approved
0.6552 Remote Similarity NPD6409 Approved
0.6552 Remote Similarity NPD7146 Approved
0.6552 Remote Similarity NPD7334 Approved
0.6552 Remote Similarity NPD7521 Approved
0.6552 Remote Similarity NPD3618 Phase 1
0.6552 Remote Similarity NPD5330 Approved
0.6552 Remote Similarity NPD6684 Approved
0.6525 Remote Similarity NPD6845 Suspended
0.65 Remote Similarity NPD5956 Approved
0.6491 Remote Similarity NPD3667 Approved
0.6484 Remote Similarity NPD6686 Approved
0.648 Remote Similarity NPD7632 Discontinued
0.6466 Remote Similarity NPD5329 Approved
0.6462 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6454 Remote Similarity NPD7260 Phase 2
0.6446 Remote Similarity NPD5282 Discontinued
0.6439 Remote Similarity NPD5167 Approved
0.6429 Remote Similarity NPD6115 Approved
0.6429 Remote Similarity NPD6697 Approved
0.6429 Remote Similarity NPD6118 Approved
0.6429 Remote Similarity NPD6114 Approved
0.6417 Remote Similarity NPD6050 Approved
0.6417 Remote Similarity NPD5693 Phase 1
0.6417 Remote Similarity NPD5281 Approved
0.6417 Remote Similarity NPD5284 Approved
0.6414 Remote Similarity NPD6333 Approved
0.6414 Remote Similarity NPD6334 Approved
0.64 Remote Similarity NPD4159 Approved
0.6387 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6385 Remote Similarity NPD6371 Approved
0.6379 Remote Similarity NPD3666 Approved
0.6379 Remote Similarity NPD3133 Approved
0.6379 Remote Similarity NPD4197 Approved
0.6379 Remote Similarity NPD3665 Phase 1
0.6371 Remote Similarity NPD4225 Approved
0.6364 Remote Similarity NPD8171 Discontinued
0.6356 Remote Similarity NPD4251 Approved
0.6356 Remote Similarity NPD4250 Approved

Structure

External Identifiers

PubChem CID   441685
ChEMBL   CHEMBL1821838
ZINC  

Physicochemical Properties

Molecular Weight:  702.29
ALogP:  -1.5173
MLogP:  3.88
XLogP:  1.711
# Rotatable Bonds:  19
Polar Surface Area:  201.56
# H-Bond Aceptor:  14
# H-Bond Donor:  2
# Rings:  7
# Heavy Atoms:  50

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