Natural Product: NPC117674

Natural Product ID:  NPC117674
Common Name:   1,2-Dihydrotanshinone
IUPAC Name:   1,6-dimethyl-8,9-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione
Synonyms:   1,2-Dihydrotanshinone
Molecular Formula:   C18H14O3
Standard InCHIKey:  OYOSADAKNZWZGA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h4,6-8H,3,5H2,1-2H3
Canonical SMILES:  O=C1c2c3CCC=C(c3ccc2c2c(C1=O)c(C)co2)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
NPO27437 Camptothecium lutescens Species Brachytheciaceae Eukaryota UNPD*
NPO26316 Pleurophycus gardneri Species Alariaceae Eukaryota UNPD*
NPO25813 Salvia przewalskii Species Lamiaceae Eukaryota UNPD*
NPO30139 Salvia przewalskll Species Lamiaceae Eukaryota TCM_Taiwan*
NPO5743 Salvia miltiorrhiza Species Lamiaceae Eukaryota TCM_Taiwan*
NPO4009 Allochromatium minutissimum Species Chromatiaceae Bacteria UNPD*
NPO25701 Amentotaxus yunnanensis Species Taxaceae Eukaryota UNPD*
NPO25212 Ritterella rubra NA NA NA UNPD*
NPO10155 Stauntonia obovatifoliola Species Lardizabalaceae Eukaryota UNPD*
NPO25779 Vicia sativa Species Fabaceae Eukaryota UNPD*
NPO10497 Hydrolithon reinboldii Species Corallinaceae Eukaryota UNPD*
NPO26054 Palmaria palmata Species Palmariaceae Eukaryota UNPD*
NPO6346 Phallusia fumigata Species Ascidiidae Eukaryota UNPD*
NPO23417 Rhabdia lycioides NA NA NA UNPD*
NPO26223 Cladonia bellidiflora Species Cladoniaceae Eukaryota UNPD*
NPO22016 Notholaena dealbata Species Pteridaceae Eukaryota UNPD*
NPO12476 Delphinium cyphoplectrum Species Ranunculaceae Eukaryota UNPD*
NPO25868 Decachaeta ovatifolia NA NA NA UNPD*
NPO23960 Artemisia siversiana Species Asteraceae Eukaryota UNPD*
NPO26087 Euphorbia retusa Species Euphorbiaceae Eukaryota UNPD*
NPO24988 Viburnum sieboldi Species Adoxaceae Eukaryota UNPD*
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO5743 Salvia miltiorrhiza Species Lamiaceae Eukaryota TM-MC*
NPO25813 Salvia przewalskii Species Lamiaceae Eukaryota TCMID*
NPO5743 Salvia miltiorrhiza Species Lamiaceae Eukaryota TCMID*
NPO415 Deguelia hatschbachii Species Fabaceae Eukaryota UNPD*
NPO25974 Streptomyces lateritius Species Streptomycetaceae Bacteria UNPD*
NPO5743 Salvia miltiorrhiza Species Lamiaceae Eukaryota PMID[21775156]
NPO24740 Uvaria klaineana Species Annonaceae Eukaryota UNPD*
NPO28257 Dioscorea communis Species Dioscoreaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT783 Cell Line MIA PaCa-2 Homo sapiens IC50 = 5600 nM 21775156

  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 NPC117674 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
0.9783 High Similarity NPC27798
0.9783 High Similarity NPC93241
0.9643 High Similarity NPC281398
0.9375 High Similarity NPC144010
0.931 High Similarity NPC145830
0.9184 High Similarity NPC179170
0.9103 High Similarity NPC192069
0.906 High Similarity NPC221992
0.9 High Similarity NPC10051
0.9 High Similarity NPC299094
0.8986 High Similarity NPC24232
0.8926 High Similarity NPC88958
0.8803 High Similarity NPC265181
0.8699 High Similarity NPC114513
0.8699 High Similarity NPC245522
0.8675 High Similarity NPC290927
0.8671 High Similarity NPC233707
0.8639 High Similarity NPC478166
0.8639 High Similarity NPC233763
0.8561 High Similarity NPC57552
0.8553 High Similarity NPC23559
0.8521 High Similarity NPC324117
0.8487 Intermediate Similarity NPC10429
0.8472 Intermediate Similarity NPC177262
0.8428 Intermediate Similarity NPC473945
0.8411 Intermediate Similarity NPC472298
0.84 Intermediate Similarity NPC198427
0.84 Intermediate Similarity NPC252208
0.8392 Intermediate Similarity NPC209858
0.8366 Intermediate Similarity NPC38361
0.8366 Intermediate Similarity NPC130015
0.8357 Intermediate Similarity NPC50583
0.8355 Intermediate Similarity NPC472406
0.8355 Intermediate Similarity NPC135303
0.8355 Intermediate Similarity NPC148423
0.8344 Intermediate Similarity NPC24761
0.8344 Intermediate Similarity NPC306788
0.8344 Intermediate Similarity NPC474107
0.8333 Intermediate Similarity NPC217914
0.8322 Intermediate Similarity NPC290038
0.831 Intermediate Similarity NPC279596
0.8301 Intermediate Similarity NPC471613
0.8289 Intermediate Similarity NPC226578
0.8264 Intermediate Similarity NPC1249
0.8258 Intermediate Similarity NPC233776
0.8255 Intermediate Similarity NPC53016
0.8252 Intermediate Similarity NPC183103
0.8247 Intermediate Similarity NPC282793
0.8231 Intermediate Similarity NPC18904
0.8224 Intermediate Similarity NPC280025
0.8224 Intermediate Similarity NPC95526
0.8219 Intermediate Similarity NPC284184
0.8212 Intermediate Similarity NPC224418
0.8212 Intermediate Similarity NPC190572
0.8199 Intermediate Similarity NPC44602
0.8194 Intermediate Similarity NPC41719
0.8194 Intermediate Similarity NPC469966
0.8194 Intermediate Similarity NPC470406
0.8194 Intermediate Similarity NPC25351
0.8194 Intermediate Similarity NPC158261
0.8194 Intermediate Similarity NPC42458
0.8188 Intermediate Similarity NPC69755
0.8182 Intermediate Similarity NPC472407
0.8182 Intermediate Similarity NPC477412
0.8165 Intermediate Similarity NPC472781
0.8165 Intermediate Similarity NPC472782
0.8153 Intermediate Similarity NPC473282
0.8153 Intermediate Similarity NPC294300
0.8153 Intermediate Similarity NPC317900
0.8153 Intermediate Similarity NPC217602
0.8153 Intermediate Similarity NPC476404
0.8153 Intermediate Similarity NPC104380
0.8151 Intermediate Similarity NPC42400
0.8151 Intermediate Similarity NPC232996
0.8133 Intermediate Similarity NPC158871
0.8129 Intermediate Similarity NPC263676
0.8129 Intermediate Similarity NPC182646
0.8121 Intermediate Similarity NPC149780
0.8113 Intermediate Similarity NPC472783
0.8113 Intermediate Similarity NPC472780
0.8108 Intermediate Similarity NPC470407
0.8099 Intermediate Similarity NPC59502
0.8095 Intermediate Similarity NPC301341
0.8092 Intermediate Similarity NPC471346
0.8089 Intermediate Similarity NPC160015
0.8089 Intermediate Similarity NPC81405
0.8089 Intermediate Similarity NPC247677
0.8085 Intermediate Similarity NPC177925
0.8077 Intermediate Similarity NPC208806
0.8075 Intermediate Similarity NPC136641
0.8075 Intermediate Similarity NPC472784
0.8065 Intermediate Similarity NPC156244
0.8065 Intermediate Similarity NPC116604
0.8043 Intermediate Similarity NPC144547
0.8039 Intermediate Similarity NPC478018
0.8038 Intermediate Similarity NPC260902
0.8038 Intermediate Similarity NPC96342
0.8038 Intermediate Similarity NPC212967
0.8038 Intermediate Similarity NPC140952
0.8038 Intermediate Similarity NPC246647
0.8038 Intermediate Similarity NPC296957
0.8038 Intermediate Similarity NPC164110
0.8029 Intermediate Similarity NPC137710
0.8028 Intermediate Similarity NPC428300
0.8027 Intermediate Similarity NPC307401
0.8026 Intermediate Similarity NPC474261
0.8026 Intermediate Similarity NPC49282
0.8025 Intermediate Similarity NPC298071
0.8013 Intermediate Similarity NPC163948
0.8013 Intermediate Similarity NPC44606
0.8013 Intermediate Similarity NPC67654
0.8012 Intermediate Similarity NPC295914
0.8012 Intermediate Similarity NPC132054
0.8 Intermediate Similarity NPC263337
0.7987 Intermediate Similarity NPC223336
0.7987 Intermediate Similarity NPC476350
0.7987 Intermediate Similarity NPC476349
0.7987 Intermediate Similarity NPC1268
0.7987 Intermediate Similarity NPC472299
0.7987 Intermediate Similarity NPC472877
0.7975 Intermediate Similarity NPC180924
0.7974 Intermediate Similarity NPC250331
0.7973 Intermediate Similarity NPC186647
0.7973 Intermediate Similarity NPC29638
0.7971 Intermediate Similarity NPC988
0.7971 Intermediate Similarity NPC289432
0.7963 Intermediate Similarity NPC279768
0.7961 Intermediate Similarity NPC189650
0.7961 Intermediate Similarity NPC17262
0.7961 Intermediate Similarity NPC308006
0.7958 Intermediate Similarity NPC474264
0.7958 Intermediate Similarity NPC237868
0.7958 Intermediate Similarity NPC184391
0.795 Intermediate Similarity NPC193998
0.7943 Intermediate Similarity NPC56332
0.7935 Intermediate Similarity NPC88445
0.7931 Intermediate Similarity NPC239134
0.7931 Intermediate Similarity NPC301717
0.7925 Intermediate Similarity NPC123153
0.7919 Intermediate Similarity NPC202260
0.7914 Intermediate Similarity NPC191012
0.7911 Intermediate Similarity NPC148938
0.7908 Intermediate Similarity NPC478019
0.7908 Intermediate Similarity NPC62799
0.7902 Intermediate Similarity NPC45537
0.7902 Intermediate Similarity NPC298884
0.7901 Intermediate Similarity NPC65846
0.7898 Intermediate Similarity NPC154683
0.7898 Intermediate Similarity NPC40356
0.7898 Intermediate Similarity NPC253872
0.7895 Intermediate Similarity NPC238843
0.7895 Intermediate Similarity NPC142113
0.7895 Intermediate Similarity NPC167663
0.7895 Intermediate Similarity NPC199044
0.7891 Intermediate Similarity NPC274876
0.7888 Intermediate Similarity NPC269117
0.7888 Intermediate Similarity NPC304387
0.7885 Intermediate Similarity NPC474660
0.7885 Intermediate Similarity NPC191104
0.7881 Intermediate Similarity NPC124365
0.7877 Intermediate Similarity NPC470740
0.7875 Intermediate Similarity NPC287559
0.7872 Intermediate Similarity NPC141252
0.7872 Intermediate Similarity NPC178382
0.7872 Intermediate Similarity NPC11799
0.7871 Intermediate Similarity NPC266743
0.7867 Intermediate Similarity NPC148374
0.7866 Intermediate Similarity NPC472660
0.7857 Intermediate Similarity NPC314329
0.7857 Intermediate Similarity NPC300540
0.7848 Intermediate Similarity NPC472786
0.7848 Intermediate Similarity NPC1477
0.7848 Intermediate Similarity NPC213608
0.7848 Intermediate Similarity NPC214632
0.7848 Intermediate Similarity NPC122365
0.7848 Intermediate Similarity NPC235333
0.7847 Intermediate Similarity NPC125887
0.7843 Intermediate Similarity NPC185456
0.7842 Intermediate Similarity NPC246214
0.7842 Intermediate Similarity NPC232958
0.784 Intermediate Similarity NPC472664
0.784 Intermediate Similarity NPC56358
0.7838 Intermediate Similarity NPC46896
0.7838 Intermediate Similarity NPC146872
0.7834 Intermediate Similarity NPC115324
0.7834 Intermediate Similarity NPC258249
0.7832 Intermediate Similarity NPC474737
0.7829 Intermediate Similarity NPC329493
0.7829 Intermediate Similarity NPC22467
0.7826 Intermediate Similarity NPC206007
0.7815 Intermediate Similarity NPC109007
0.7812 Intermediate Similarity NPC201127
0.7812 Intermediate Similarity NPC268360
0.781 Intermediate Similarity NPC79202
0.781 Intermediate Similarity NPC59035
0.7808 Intermediate Similarity NPC164295
0.7808 Intermediate Similarity NPC205360
0.7806 Intermediate Similarity NPC304443
0.7806 Intermediate Similarity NPC74539
0.78 Intermediate Similarity NPC62735

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC117674 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
0.8803 High Similarity NPD1471 Phase 3
0.8288 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.8288 Intermediate Similarity NPD2344 Approved
0.8163 Intermediate Similarity NPD2346 Discontinued
0.8067 Intermediate Similarity NPD2309 Approved
0.8052 Intermediate Similarity NPD3226 Approved
0.7866 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7806 Intermediate Similarity NPD920 Approved
0.7799 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD6279 Approved
0.7785 Intermediate Similarity NPD6280 Approved
0.7778 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.774 Intermediate Similarity NPD2313 Discontinued
0.7692 Intermediate Similarity NPD1876 Approved
0.7676 Intermediate Similarity NPD3972 Approved
0.7669 Intermediate Similarity NPD1247 Approved
0.7622 Intermediate Similarity NPD6808 Phase 2
0.7616 Intermediate Similarity NPD2796 Approved
0.7589 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD1243 Approved
0.755 Intermediate Similarity NPD2799 Discontinued
0.7546 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD1651 Approved
0.7516 Intermediate Similarity NPD7819 Suspended
0.7469 Intermediate Similarity NPD2296 Approved
0.7468 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD2798 Approved
0.7439 Intermediate Similarity NPD919 Approved
0.7394 Intermediate Similarity NPD5494 Approved
0.7378 Intermediate Similarity NPD3749 Approved
0.7365 Intermediate Similarity NPD6832 Phase 2
0.7365 Intermediate Similarity NPD3926 Phase 2
0.7361 Intermediate Similarity NPD1281 Approved
0.7356 Intermediate Similarity NPD8434 Phase 2
0.7338 Intermediate Similarity NPD1241 Discontinued
0.7319 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD7411 Suspended
0.7279 Intermediate Similarity NPD3267 Approved
0.7279 Intermediate Similarity NPD3266 Approved
0.7267 Intermediate Similarity NPD6559 Discontinued
0.7267 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6959 Discontinued
0.7244 Intermediate Similarity NPD2800 Approved
0.7237 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD2532 Approved
0.7233 Intermediate Similarity NPD2534 Approved
0.7233 Intermediate Similarity NPD2533 Approved
0.7233 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD1283 Approved
0.7208 Intermediate Similarity NPD3748 Approved
0.7197 Intermediate Similarity NPD7003 Approved
0.719 Intermediate Similarity NPD1607 Approved
0.7188 Intermediate Similarity NPD6273 Approved
0.7179 Intermediate Similarity NPD1549 Phase 2
0.7178 Intermediate Similarity NPD5890 Approved
0.7178 Intermediate Similarity NPD5889 Approved
0.7171 Intermediate Similarity NPD2979 Phase 3
0.7171 Intermediate Similarity NPD4307 Phase 2
0.7162 Intermediate Similarity NPD1470 Approved
0.7161 Intermediate Similarity NPD1551 Phase 2
0.7152 Intermediate Similarity NPD3295 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD6599 Discontinued
0.7115 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD17 Approved
0.7101 Intermediate Similarity NPD6232 Discontinued
0.7097 Intermediate Similarity NPD1510 Phase 2
0.7097 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5760 Phase 2
0.7091 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5761 Phase 2
0.7089 Intermediate Similarity NPD4628 Phase 3
0.7076 Intermediate Similarity NPD7473 Discontinued
0.7059 Intermediate Similarity NPD1240 Approved
0.7051 Intermediate Similarity NPD2935 Discontinued
0.7039 Intermediate Similarity NPD3268 Approved
0.7037 Intermediate Similarity NPD3869 Phase 3
0.7037 Intermediate Similarity NPD3873 Phase 3
0.7034 Intermediate Similarity NPD5691 Approved
0.7013 Intermediate Similarity NPD1933 Approved
0.7012 Intermediate Similarity NPD6585 Discontinued
0.7007 Intermediate Similarity NPD1611 Approved
0.7007 Intermediate Similarity NPD1201 Approved
0.7006 Intermediate Similarity NPD3882 Suspended
0.7 Intermediate Similarity NPD5668 Clinical (unspecified phase)
0.6993 Remote Similarity NPD8032 Phase 2
0.6987 Remote Similarity NPD4308 Phase 3
0.6982 Remote Similarity NPD710 Clinical (unspecified phase)
0.6981 Remote Similarity NPD3750 Approved
0.6964 Remote Similarity NPD7075 Discontinued
0.6959 Remote Similarity NPD1608 Approved
0.6957 Remote Similarity NPD6799 Approved
0.6951 Remote Similarity NPD7458 Discontinued
0.6944 Remote Similarity NPD405 Clinical (unspecified phase)
0.6943 Remote Similarity NPD2531 Phase 2
0.6943 Remote Similarity NPD2438 Suspended
0.6936 Remote Similarity NPD7177 Discontinued
0.6933 Remote Similarity NPD1203 Approved
0.6928 Remote Similarity NPD1934 Approved
0.6928 Remote Similarity NPD6801 Discontinued
0.6909 Remote Similarity NPD4380 Phase 2
0.6905 Remote Similarity NPD4947 Clinical (unspecified phase)
0.6905 Remote Similarity NPD7768 Phase 2
0.6897 Remote Similarity NPD5844 Phase 1
0.6887 Remote Similarity NPD1019 Discontinued
0.6879 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6765 Approved
0.6875 Remote Similarity NPD6764 Approved
0.6865 Remote Similarity NPD8285 Discontinued
0.6863 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6846 Remote Similarity NPD9717 Approved
0.6839 Remote Similarity NPD3140 Approved
0.6839 Remote Similarity NPD3142 Approved
0.6835 Remote Similarity NPD4476 Approved
0.6835 Remote Similarity NPD4477 Approved
0.6833 Remote Similarity NPD6040 Clinical (unspecified phase)
0.6826 Remote Similarity NPD6844 Discontinued
0.6821 Remote Similarity NPD2797 Approved
0.6818 Remote Similarity NPD3764 Approved
0.6818 Remote Similarity NPD411 Approved
0.681 Remote Similarity NPD7422 Clinical (unspecified phase)
0.681 Remote Similarity NPD7004 Clinical (unspecified phase)
0.681 Remote Similarity NPD4662 Approved
0.681 Remote Similarity NPD4661 Approved
0.6798 Remote Similarity NPD8313 Approved
0.6798 Remote Similarity NPD8312 Approved
0.6796 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6786 Remote Similarity NPD2801 Approved
0.6757 Remote Similarity NPD4626 Approved
0.675 Remote Similarity NPD970 Clinical (unspecified phase)
0.675 Remote Similarity NPD2897 Discontinued
0.6748 Remote Similarity NPD1511 Approved
0.6747 Remote Similarity NPD2649 Approved
0.6747 Remote Similarity NPD2651 Approved
0.6746 Remote Similarity NPD3817 Phase 2
0.6743 Remote Similarity NPD3818 Discontinued
0.6732 Remote Similarity NPD9494 Approved
0.673 Remote Similarity NPD6099 Approved
0.673 Remote Similarity NPD5406 Approved
0.673 Remote Similarity NPD6100 Approved
0.673 Remote Similarity NPD5405 Approved
0.673 Remote Similarity NPD5408 Approved
0.673 Remote Similarity NPD5404 Approved
0.6728 Remote Similarity NPD3887 Approved
0.6724 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6722 Remote Similarity NPD6784 Approved
0.6722 Remote Similarity NPD6785 Approved
0.6721 Remote Similarity NPD7879 Clinical (unspecified phase)
0.671 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6707 Remote Similarity NPD5401 Approved
0.6705 Remote Similarity NPD5710 Approved
0.6705 Remote Similarity NPD5711 Approved
0.6689 Remote Similarity NPD5585 Approved
0.6689 Remote Similarity NPD5327 Phase 3
0.6688 Remote Similarity NPD4618 Approved
0.6688 Remote Similarity NPD447 Suspended
0.6688 Remote Similarity NPD4622 Approved
0.6687 Remote Similarity NPD2353 Approved
0.6687 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7033 Discontinued
0.6667 Remote Similarity NPD1512 Approved
0.6648 Remote Similarity NPD3751 Discontinued
0.6648 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6647 Remote Similarity NPD5978 Approved
0.6647 Remote Similarity NPD5402 Approved
0.6647 Remote Similarity NPD5977 Approved
0.6646 Remote Similarity NPD7390 Discontinued
0.6645 Remote Similarity NPD4625 Phase 3
0.6645 Remote Similarity NPD7008 Discontinued
0.6629 Remote Similarity NPD5953 Discontinued
0.6627 Remote Similarity NPD5403 Approved
0.6627 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6622 Remote Similarity NPD1894 Discontinued
0.662 Remote Similarity NPD2182 Approved
0.6612 Remote Similarity NPD4287 Approved
0.6609 Remote Similarity NPD7229 Phase 3
0.6604 Remote Similarity NPD5688 Approved
0.6604 Remote Similarity NPD5689 Approved
0.66 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6582 Remote Similarity NPD6355 Discontinued
0.6564 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6561 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6554 Remote Similarity NPD5536 Phase 2
0.6554 Remote Similarity NPD2163 Approved
0.6541 Remote Similarity NPD6651 Approved
0.6541 Remote Similarity NPD3269 Clinical (unspecified phase)
0.6534 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6534 Remote Similarity NPD6166 Phase 2
0.6534 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6534 Remote Similarity NPD2403 Approved
0.6533 Remote Similarity NPD1778 Approved
0.6529 Remote Similarity NPD7577 Discontinued

Structure

External Identifiers

PubChem CID   105119
ChEMBL   CHEMBL1813349
ZINC  

Physicochemical Properties

Molecular Weight:  278.09
ALogP:  1.1925
MLogP:  3.11
XLogP:  3.727
# Rotatable Bonds:  2
Polar Surface Area:  47.28
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  21

Download Data

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