Natural Product: NPC231889

Natural Product ID:  NPC231889
Common Name:   n.a.
IUPAC Name:  
Synonyms:   13-Acetoxysarcocrassolide
Molecular Formula:   C22H30O5
Standard InCHIKey:  YMKLZOPPOGQOLH-FJSKMCBKSA-N
Standard InCHI:  InChI=1S/C22H30O5/c1-13-8-6-10-14(2)19(25-16(4)23)20-17(15(3)21(24)26-20)12-18-22(5,27-18)11-7-9-13/h9-10,17-20H,3,6-8,11-12H2,1-2,4-5H3/b13-9+,14-10+/t17-,18-,19-,20-,22-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1/C(=C/CC/C(=C/CC[C@]2([C@H](C[C@@H]3[C@@H]1OC(=O)C3=C)O2)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
NPO10443 Sloanea zuliaensis Species Elaeocarpaceae Eukaryota UNPD*
NPO639 Formica polyctena Species Formicidae Eukaryota UNPD*
NPO6809 Cailliea cinerea NA NA NA UNPD*
NPO14107 Teucrium montanum Species Lamiaceae Eukaryota UNPD*
NPO16617 Paepalanthus hilairei Species Eriocaulaceae Eukaryota UNPD*
NPO11365 Lecidea lithophila Species Lecideaceae Eukaryota UNPD*
NPO10877 Humboldtia laurifolia Species Fabaceae Eukaryota UNPD*
NPO16774 Hermidium alipes NA NA NA UNPD*
NPO16206 Umbilicaria indica Species Umbilicariaceae Eukaryota UNPD*
NPO14434 Alluaudia humbertii Species Didiereaceae Eukaryota UNPD*
NPO13931 Selaginella uncinata Species Selaginellaceae Eukaryota UNPD*
NPO15037 Echinops spinosissimus Species Asteraceae Eukaryota UNPD*
NPO15773 Ecteinascidia thurstoni Species Perophoridae Eukaryota UNPD*
NPO12217 Buccinum undatum Species Buccinidae Eukaryota UNPD*
NPO13036 Culicinomyces clavisporus Species Clavicipitaceae Eukaryota UNPD*
NPO11762 Agrimonia eupatoria Species Rosaceae Eukaryota UNPD*
NPO12451 Dermocybe cinnabarina Species Cortinariaceae Eukaryota UNPD*
NPO13264 Alstonia lanceolifera Species Apocynaceae Eukaryota UNPD*
NPO14591 Rhabdodendron amazonicum Species Rhabdodendraceae Eukaryota UNPD*
NPO9314 Gouania ulmifolia Species Gobiesocidae Eukaryota UNPD*
NPO16453 Lycium cestroides Species Solanaceae Eukaryota UNPD*
NPO73 Pseudanabaena persicina Species Pseudanabaenaceae Bacteria UNPD*
NPO9909 Sarcophyton crassocaule Species Alcyoniidae Eukaryota UNPD*
NPO15674 Acanthosyris spinescens Species Cervantesiaceae Eukaryota UNPD*
NPO5719 Hedyotis lawsoniae Species Rubiaceae Eukaryota UNPD*
NPO25278 Cystofilobasidium infirmominiatum Species Cystofilobasidiaceae Eukaryota UNPD*
NPO14909 Artemisia caerulescens Species Asteraceae Eukaryota UNPD*
NPO13577 Pieris formosa Species Ericaceae Eukaryota UNPD*
NPO21926 Pseudomonas aeruginosa Species Pseudomonadaceae Bacteria UNPD*
NPO2584 Monostroma fuscum Species Monostromataceae Eukaryota UNPD*
NPO15428 Cheilanthes tenuifolia Species Pteridaceae Eukaryota UNPD*
NPO16560 Palhinhaea cernua Species Lycopodiaceae Eukaryota UNPD*
NPO13417 Campanula medium Species Campanulaceae Eukaryota UNPD*
NPO25715 Senna siamea Species Fabaceae Eukaryota UNPD*
NPO16740 Helipterum venustum Species Asteraceae Eukaryota UNPD*
NPO15294 Magnolia salicifolia Species Magnoliaceae Eukaryota UNPD*
NPO1655 Corydendrium parasiticum Species Oceaniidae Eukaryota UNPD*
NPO12764 Tillandsia fragrans Species Bromeliaceae Eukaryota UNPD*
NPO20404.1 Eruca vesicaria subsp. sativa Subspecies Brassicaceae Eukaryota UNPD*
NPO15983 Udotea cyathiformis Species Udoteaceae Eukaryota UNPD*
NPO13733 Saccharopolyspora erythraea Species Pseudonocardiaceae Bacteria UNPD*
NPO26508 Uvariopsis tripetala Species Annonaceae Eukaryota UNPD*
NPO5127 Cladocroce incurvata Species Chalinidae Eukaryota UNPD*
NPO16301 Ilex macropoda Species Aquifoliaceae Eukaryota UNPD*
NPO9909 Sarcophyton crassocaule Species Alcyoniidae Eukaryota PMID[11141104]
NPO26988 Acinos thymoides NA NA NA UNPD*
NPO7023 Tetracera rosiflora Species Dilleniaceae Eukaryota UNPD*
NPO15879 Euphorbia nivulia Species Euphorbiaceae Eukaryota UNPD*
NPO16101 Gleditsia triacanthos Species Fabaceae Eukaryota UNPD*
NPO16534 Pterocaulon alopecuroides Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens ED50 = 4.66 ug/ml 11141104
NPT139 Cell Line HT-29 Homo sapiens ED50 = 5.67 ug/ml 11141104
NPT91 Cell Line KB Homo sapiens ED50 = 7.39 ug/ml 11141104
NPT168 Cell Line P388 Mus musculus ED50 = 0.38 ug/ml 11141104
NPT113 Cell Line RAW264.7 Mus musculus Activity = 6.2 % 20144547

  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 NPC231889 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
0.9643 High Similarity NPC475748
0.9524 High Similarity NPC151770
0.9506 High Similarity NPC272814
0.931 High Similarity NPC474035
0.931 High Similarity NPC473316
0.931 High Similarity NPC473330
0.931 High Similarity NPC81386
0.9294 High Similarity NPC166919
0.9286 High Similarity NPC475703
0.9205 High Similarity NPC14961
0.9205 High Similarity NPC270013
0.9195 High Similarity NPC212486
0.9186 High Similarity NPC51004
0.9167 High Similarity NPC50637
0.9101 High Similarity NPC476315
0.9091 High Similarity NPC471147
0.908 High Similarity NPC30515
0.908 High Similarity NPC20713
0.907 High Similarity NPC307411
0.9048 High Similarity NPC50362
0.9048 High Similarity NPC319795
0.9048 High Similarity NPC38468
0.9024 High Similarity NPC141810
0.8989 High Similarity NPC475659
0.8977 High Similarity NPC81419
0.8977 High Similarity NPC475912
0.8977 High Similarity NPC179746
0.8977 High Similarity NPC476300
0.8966 High Similarity NPC62815
0.8966 High Similarity NPC329857
0.8966 High Similarity NPC469718
0.8953 High Similarity NPC202672
0.8901 High Similarity NPC279561
0.8889 High Similarity NPC473859
0.8876 High Similarity NPC303942
0.8876 High Similarity NPC57405
0.8876 High Similarity NPC140543
0.8864 High Similarity NPC12172
0.8864 High Similarity NPC184463
0.8864 High Similarity NPC208886
0.8837 High Similarity NPC5130
0.8824 High Similarity NPC474547
0.881 High Similarity NPC170286
0.881 High Similarity NPC257358
0.881 High Similarity NPC474472
0.8804 High Similarity NPC288876
0.878 High Similarity NPC617
0.8778 High Similarity NPC474947
0.8778 High Similarity NPC36954
0.875 High Similarity NPC49342
0.875 High Similarity NPC476004
0.875 High Similarity NPC312042
0.875 High Similarity NPC251385
0.875 High Similarity NPC474761
0.8721 High Similarity NPC284902
0.871 High Similarity NPC264477
0.871 High Similarity NPC477511
0.8696 High Similarity NPC473326
0.8696 High Similarity NPC208233
0.8681 High Similarity NPC17585
0.8681 High Similarity NPC35498
0.8681 High Similarity NPC279621
0.8667 High Similarity NPC476267
0.8636 High Similarity NPC474032
0.8605 High Similarity NPC149725
0.8605 High Similarity NPC47958
0.8605 High Similarity NPC304509
0.8588 High Similarity NPC170377
0.8587 High Similarity NPC471140
0.8556 High Similarity NPC125674
0.8556 High Similarity NPC475838
0.8556 High Similarity NPC228451
0.8539 High Similarity NPC80875
0.8523 High Similarity NPC281516
0.8511 High Similarity NPC476270
0.8495 Intermediate Similarity NPC474213
0.8488 Intermediate Similarity NPC138647
0.8488 Intermediate Similarity NPC470238
0.8478 Intermediate Similarity NPC476275
0.8462 Intermediate Similarity NPC474247
0.8452 Intermediate Similarity NPC474981
0.8452 Intermediate Similarity NPC474510
0.8438 Intermediate Similarity NPC474741
0.8438 Intermediate Similarity NPC477510
0.8438 Intermediate Similarity NPC471143
0.8427 Intermediate Similarity NPC295312
0.8409 Intermediate Similarity NPC186148
0.8404 Intermediate Similarity NPC477512
0.8391 Intermediate Similarity NPC99395
0.8391 Intermediate Similarity NPC21469
0.8391 Intermediate Similarity NPC215364
0.8391 Intermediate Similarity NPC197903
0.8372 Intermediate Similarity NPC250315
0.8372 Intermediate Similarity NPC318468
0.837 Intermediate Similarity NPC471141
0.837 Intermediate Similarity NPC107476
0.8353 Intermediate Similarity NPC207188
0.8353 Intermediate Similarity NPC281949
0.8353 Intermediate Similarity NPC25684
0.8353 Intermediate Similarity NPC301477
0.8351 Intermediate Similarity NPC243998
0.8351 Intermediate Similarity NPC223450
0.8333 Intermediate Similarity NPC473619
0.8316 Intermediate Similarity NPC474339
0.8316 Intermediate Similarity NPC164598
0.8316 Intermediate Similarity NPC201718
0.8316 Intermediate Similarity NPC473332
0.8315 Intermediate Similarity NPC153805
0.8315 Intermediate Similarity NPC474471
0.8315 Intermediate Similarity NPC58219
0.8315 Intermediate Similarity NPC227379
0.8315 Intermediate Similarity NPC177629
0.8313 Intermediate Similarity NPC470240
0.8313 Intermediate Similarity NPC476794
0.8295 Intermediate Similarity NPC122502
0.8295 Intermediate Similarity NPC470242
0.828 Intermediate Similarity NPC230800
0.8276 Intermediate Similarity NPC72464
0.8265 Intermediate Similarity NPC477513
0.8242 Intermediate Similarity NPC70251
0.8242 Intermediate Similarity NPC470373
0.8242 Intermediate Similarity NPC470379
0.8242 Intermediate Similarity NPC473321
0.8242 Intermediate Similarity NPC475881
0.8229 Intermediate Similarity NPC149371
0.8229 Intermediate Similarity NPC471148
0.8222 Intermediate Similarity NPC4986
0.8222 Intermediate Similarity NPC92974
0.8211 Intermediate Similarity NPC475949
0.8202 Intermediate Similarity NPC266957
0.8202 Intermediate Similarity NPC160138
0.8202 Intermediate Similarity NPC248602
0.8193 Intermediate Similarity NPC235906
0.8182 Intermediate Similarity NPC235792
0.8182 Intermediate Similarity NPC137033
0.8172 Intermediate Similarity NPC224689
0.8172 Intermediate Similarity NPC471142
0.8171 Intermediate Similarity NPC476355
0.8171 Intermediate Similarity NPC140287
0.8161 Intermediate Similarity NPC11620
0.8161 Intermediate Similarity NPC53867
0.8161 Intermediate Similarity NPC475842
0.8152 Intermediate Similarity NPC273579
0.8152 Intermediate Similarity NPC135776
0.8152 Intermediate Similarity NPC295204
0.8152 Intermediate Similarity NPC162205
0.8152 Intermediate Similarity NPC288240
0.8148 Intermediate Similarity NPC163003
0.8144 Intermediate Similarity NPC475945
0.8144 Intermediate Similarity NPC475871
0.8132 Intermediate Similarity NPC144133
0.8132 Intermediate Similarity NPC179394
0.8132 Intermediate Similarity NPC475855
0.8125 Intermediate Similarity NPC474742
0.8125 Intermediate Similarity NPC47880
0.8111 Intermediate Similarity NPC224652
0.8111 Intermediate Similarity NPC473715
0.8111 Intermediate Similarity NPC475902
0.8105 Intermediate Similarity NPC471144
0.8105 Intermediate Similarity NPC187268
0.8095 Intermediate Similarity NPC171204
0.8095 Intermediate Similarity NPC141789
0.8095 Intermediate Similarity NPC97516
0.8095 Intermediate Similarity NPC476028
0.8095 Intermediate Similarity NPC65603
0.809 Intermediate Similarity NPC476015
0.809 Intermediate Similarity NPC204048
0.809 Intermediate Similarity NPC475019
0.809 Intermediate Similarity NPC474762
0.809 Intermediate Similarity NPC261253
0.809 Intermediate Similarity NPC469676
0.809 Intermediate Similarity NPC64153
0.809 Intermediate Similarity NPC474045
0.809 Intermediate Similarity NPC474949
0.8068 Intermediate Similarity NPC474780
0.8065 Intermediate Similarity NPC474338
0.8065 Intermediate Similarity NPC71589
0.8065 Intermediate Similarity NPC477131
0.8061 Intermediate Similarity NPC100487
0.8046 Intermediate Similarity NPC173609
0.8043 Intermediate Similarity NPC221282
0.8043 Intermediate Similarity NPC233437
0.8043 Intermediate Similarity NPC133698
0.8043 Intermediate Similarity NPC207641
0.8041 Intermediate Similarity NPC474747
0.8023 Intermediate Similarity NPC474739
0.8022 Intermediate Similarity NPC78008
0.802 Intermediate Similarity NPC253906
0.8 Intermediate Similarity NPC474765
0.8 Intermediate Similarity NPC270270
0.798 Intermediate Similarity NPC54737
0.7979 Intermediate Similarity NPC67584
0.7979 Intermediate Similarity NPC477922
0.7979 Intermediate Similarity NPC304886
0.7978 Intermediate Similarity NPC255307
0.7978 Intermediate Similarity NPC329749
0.7976 Intermediate Similarity NPC123360
0.7957 Intermediate Similarity NPC165383
0.7955 Intermediate Similarity NPC128429
0.7955 Intermediate Similarity NPC475947

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC231889 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
0.9048 High Similarity NPD1733 Clinical (unspecified phase)
0.8222 Intermediate Similarity NPD1695 Approved
0.7935 Intermediate Similarity NPD46 Approved
0.7935 Intermediate Similarity NPD6698 Approved
0.7553 Intermediate Similarity NPD7838 Discovery
0.7549 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6371 Approved
0.7292 Intermediate Similarity NPD7983 Approved
0.7245 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD2685 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD6008 Approved
0.7065 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD1694 Approved
0.6961 Remote Similarity NPD6648 Approved
0.6944 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6893 Remote Similarity NPD5344 Discontinued
0.6887 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6822 Remote Similarity NPD6686 Approved
0.6727 Remote Similarity NPD6053 Discontinued
0.6702 Remote Similarity NPD5209 Approved
0.67 Remote Similarity NPD5778 Approved
0.67 Remote Similarity NPD5779 Approved
0.6699 Remote Similarity NPD4225 Approved
0.6697 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5785 Approved
0.6634 Remote Similarity NPD5282 Discontinued
0.6632 Remote Similarity NPD7154 Phase 3
0.6606 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6598 Remote Similarity NPD4249 Approved
0.6598 Remote Similarity NPD5786 Approved
0.6552 Remote Similarity NPD8517 Approved
0.6552 Remote Similarity NPD8515 Approved
0.6552 Remote Similarity NPD8513 Phase 3
0.6552 Remote Similarity NPD8516 Approved
0.6531 Remote Similarity NPD4250 Approved
0.6531 Remote Similarity NPD4251 Approved
0.6526 Remote Similarity NPD6435 Approved
0.6495 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6495 Remote Similarity NPD5363 Approved
0.6491 Remote Similarity NPD7115 Discovery
0.6484 Remote Similarity NPD8039 Approved
0.6458 Remote Similarity NPD5362 Discontinued
0.6441 Remote Similarity NPD7642 Approved
0.6421 Remote Similarity NPD5369 Approved
0.6381 Remote Similarity NPD7638 Approved
0.6354 Remote Similarity NPD4270 Approved
0.6354 Remote Similarity NPD4269 Approved
0.6346 Remote Similarity NPD7839 Suspended
0.6321 Remote Similarity NPD7640 Approved
0.6321 Remote Similarity NPD7639 Approved
0.6316 Remote Similarity NPD5368 Approved
0.6316 Remote Similarity NPD4820 Approved
0.6316 Remote Similarity NPD4822 Approved
0.6316 Remote Similarity NPD4821 Approved
0.6316 Remote Similarity NPD4819 Approved
0.6316 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6303 Remote Similarity NPD7829 Approved
0.6303 Remote Similarity NPD7830 Approved
0.6281 Remote Similarity NPD8074 Phase 3
0.6238 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6238 Remote Similarity NPD6101 Approved
0.6228 Remote Similarity NPD4632 Approved
0.6214 Remote Similarity NPD6399 Phase 3
0.621 Remote Similarity NPD7260 Phase 2
0.6198 Remote Similarity NPD7507 Approved
0.6146 Remote Similarity NPD4252 Approved
0.6117 Remote Similarity NPD6411 Approved
0.6117 Remote Similarity NPD5693 Phase 1
0.6106 Remote Similarity NPD2067 Discontinued
0.6105 Remote Similarity NPD4268 Approved
0.6105 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6105 Remote Similarity NPD4271 Approved
0.61 Remote Similarity NPD7146 Approved
0.61 Remote Similarity NPD6422 Discontinued
0.61 Remote Similarity NPD6409 Approved
0.61 Remote Similarity NPD7334 Approved
0.61 Remote Similarity NPD7521 Approved
0.61 Remote Similarity NPD5330 Approved
0.61 Remote Similarity NPD6684 Approved
0.6095 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6094 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6071 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6068 Remote Similarity NPD6009 Approved
0.6066 Remote Similarity NPD8273 Phase 1
0.6066 Remote Similarity NPD8451 Approved
0.605 Remote Similarity NPD6319 Approved
0.6048 Remote Similarity NPD7319 Approved
0.604 Remote Similarity NPD3573 Approved
0.6033 Remote Similarity NPD7604 Phase 2
0.6032 Remote Similarity NPD6845 Suspended
0.6017 Remote Similarity NPD7641 Discontinued
0.6016 Remote Similarity NPD8448 Approved
0.6 Remote Similarity NPD7900 Approved
0.6 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6 Remote Similarity NPD8297 Approved
0.6 Remote Similarity NPD5983 Phase 2
0.5984 Remote Similarity NPD7492 Approved
0.5982 Remote Similarity NPD5697 Approved
0.598 Remote Similarity NPD6903 Approved
0.598 Remote Similarity NPD5737 Approved
0.598 Remote Similarity NPD6672 Approved
0.598 Remote Similarity NPD7513 Clinical (unspecified phase)
0.596 Remote Similarity NPD6110 Phase 1
0.596 Remote Similarity NPD5332 Approved
0.596 Remote Similarity NPD5331 Approved
0.5955 Remote Similarity NPD7331 Phase 2
0.5935 Remote Similarity NPD6616 Approved
0.5929 Remote Similarity NPD6881 Approved
0.5929 Remote Similarity NPD6011 Approved
0.5929 Remote Similarity NPD6899 Approved
0.5922 Remote Similarity NPD6051 Approved
0.5918 Remote Similarity NPD4790 Discontinued
0.5917 Remote Similarity NPD6054 Approved
0.5913 Remote Similarity NPD6649 Approved
0.5913 Remote Similarity NPD6650 Approved
0.5913 Remote Similarity NPD2204 Approved
0.5893 Remote Similarity NPD7128 Approved
0.5893 Remote Similarity NPD6675 Approved
0.5893 Remote Similarity NPD5739 Approved
0.5893 Remote Similarity NPD6402 Approved
0.5889 Remote Similarity NPD4247 Clinical (unspecified phase)
0.5887 Remote Similarity NPD7078 Approved
0.5877 Remote Similarity NPD6372 Approved
0.5877 Remote Similarity NPD6013 Approved
0.5877 Remote Similarity NPD6012 Approved
0.5877 Remote Similarity NPD6373 Approved
0.5877 Remote Similarity NPD6014 Approved
0.5873 Remote Similarity NPD8391 Approved
0.5873 Remote Similarity NPD8392 Approved
0.5873 Remote Similarity NPD8390 Approved
0.5868 Remote Similarity NPD8444 Approved
0.5868 Remote Similarity NPD6016 Approved
0.5868 Remote Similarity NPD6015 Approved
0.5865 Remote Similarity NPD5207 Approved
0.5865 Remote Similarity NPD3168 Discontinued
0.5859 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5854 Remote Similarity NPD8342 Approved
0.5854 Remote Similarity NPD8341 Approved
0.5854 Remote Similarity NPD8299 Approved
0.5854 Remote Similarity NPD8340 Approved
0.5849 Remote Similarity NPD6001 Approved
0.5843 Remote Similarity NPD7341 Phase 2
0.5841 Remote Similarity NPD5701 Approved
0.5841 Remote Similarity NPD6412 Phase 2
0.584 Remote Similarity NPD7736 Approved
0.5833 Remote Similarity NPD7902 Approved
0.5833 Remote Similarity NPD4756 Discovery
0.5826 Remote Similarity NPD7102 Approved
0.5826 Remote Similarity NPD6883 Approved
0.5826 Remote Similarity NPD7290 Approved
0.582 Remote Similarity NPD6370 Approved
0.582 Remote Similarity NPD5988 Approved
0.581 Remote Similarity NPD7637 Suspended
0.5806 Remote Similarity NPD6336 Discontinued
0.5798 Remote Similarity NPD7500 Approved
0.5794 Remote Similarity NPD5695 Phase 3
0.5789 Remote Similarity NPD7320 Approved
0.5785 Remote Similarity NPD6059 Approved
0.578 Remote Similarity NPD5696 Approved
0.5776 Remote Similarity NPD6869 Approved
0.5776 Remote Similarity NPD6847 Approved
0.5776 Remote Similarity NPD6617 Approved
0.5776 Remote Similarity NPD8130 Phase 1
0.5776 Remote Similarity NPD2181 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5370 Suspended
0.5769 Remote Similarity NPD6904 Approved
0.5769 Remote Similarity NPD6673 Approved
0.5769 Remote Similarity NPD6080 Approved
0.5766 Remote Similarity NPD7632 Discontinued
0.576 Remote Similarity NPD8293 Discontinued
0.5743 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5726 Remote Similarity NPD6882 Approved
0.5714 Remote Similarity NPD5692 Phase 3
0.5701 Remote Similarity NPD7748 Approved
0.5688 Remote Similarity NPD6084 Phase 2
0.5688 Remote Similarity NPD6083 Phase 2
0.5678 Remote Similarity NPD8133 Approved
0.5673 Remote Similarity NPD5208 Approved
0.5667 Remote Similarity NPD8137 Clinical (unspecified phase)
0.566 Remote Similarity NPD5694 Approved
0.566 Remote Similarity NPD4810 Clinical (unspecified phase)
0.566 Remote Similarity NPD5281 Approved
0.566 Remote Similarity NPD5284 Approved
0.566 Remote Similarity NPD6050 Approved
0.5645 Remote Similarity NPD8328 Phase 3
0.5641 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5631 Remote Similarity NPD6098 Approved
0.5625 Remote Similarity NPD3653 Clinical (unspecified phase)
0.5625 Remote Similarity NPD5211 Phase 2
0.562 Remote Similarity NPD7327 Approved
0.562 Remote Similarity NPD7328 Approved
0.561 Remote Similarity NPD7503 Approved
0.561 Remote Similarity NPD8267 Approved
0.561 Remote Similarity NPD6291 Clinical (unspecified phase)
0.561 Remote Similarity NPD8269 Approved
0.561 Remote Similarity NPD8033 Approved
0.561 Remote Similarity NPD8266 Approved
0.561 Remote Similarity NPD8268 Approved
0.561 Remote Similarity NPD6927 Phase 3

Structure

External Identifiers

PubChem CID   21775908
ChEMBL   CHEMBL485787
ZINC  

Physicochemical Properties

Molecular Weight:  374.21
ALogP:  2.796
MLogP:  3.33
XLogP:  3.403
# Rotatable Bonds:  6
Polar Surface Area:  65.13
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  27

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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