Natural Product: NPC41851

Natural Product ID:  NPC41851
Common Name:   9-O-Angeloyl-8,10-Dehydrothymol
IUPAC Name:   2-(2-hydroxy-4-methylphenyl)prop-2-enyl (Z)-2-methylbut-2-enoate
Synonyms:  
Molecular Formula:   C15H18O3
Standard InCHIKey:  AZIQOUDJDHKSLD-WZUFQYTHSA-N
Standard InCHI:  InChI=1S/C15H18O3/c1-5-11(3)15(17)18-9-12(4)13-7-6-10(2)8-14(13)16/h5-8,16H,4,9H2,1-3H3/b11-5-
Canonical SMILES:  C/C=C(C(=O)OCC(=C)c1ccc(cc1O)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
NPO20835 Medicago truncatula Species Fabaceae Eukaryota UNPD*
NPO20771 Thalictrum fortunei Species Ranunculaceae Eukaryota UNPD*
NPO20203 Syringa komarowi Species Oleaceae Eukaryota UNPD*
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota UNPD*
NPO22438 Asclepias speciosa Species Apocynaceae Eukaryota UNPD*
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota UNPD*
NPO19891 Diospyros crassiflora Species Ebenaceae Eukaryota UNPD*
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota UNPD*
NPO13409 Crocus asturicus Species Iridaceae Eukaryota UNPD*
NPO20457 Spirastrella inconstans Species Spirastrellidae Eukaryota UNPD*
NPO22953 Eupatorium pauciflorum Species Asteraceae Eukaryota UNPD*
NPO20261 Teucrium trifidum Species Lamiaceae Eukaryota UNPD*
NPO22756 Epimedium versicolor Species Berberidaceae Eukaryota UNPD*
NPO20583 Phaulopsis imbricata Species Acanthaceae Eukaryota UNPD*
NPO20381 Echites hirsuta Species Apocynaceae Eukaryota UNPD*
NPO20088 Piper sintenense Species Piperaceae Eukaryota UNPD*
NPO21654 Cyerce cristallina Species Caliphyllidae Eukaryota UNPD*
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota UNPD*
NPO21413 Armillaria tabescens Species Physalacriaceae Eukaryota UNPD*
NPO21089 Mourera fluviatilis Species Podostemaceae Eukaryota UNPD*
NPO23006 Moringa stenopetala Species Moringaceae Eukaryota UNPD*
NPO26325 Annulusmagnus triseptatus Species Annulatascaceae Eukaryota UNPD*
NPO22372 Callicarpa bodinieri Species Lamiaceae Eukaryota UNPD*
NPO21599 Ricciocarpos natans Species Ricciaceae Eukaryota UNPD*
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota UNPD*
NPO8115 Polyopes affinis Species Halymeniaceae Eukaryota UNPD*
NPO6414 Eupatorium cannabinum Species Asteraceae Eukaryota UNPD*
NPO22308 Stevia satureiaefolia Species Asteraceae Eukaryota UNPD*
NPO27489 Alloascoidea hylecoeti Species Alloascoideaceae Eukaryota UNPD*
NPO14240 Justicia ghiesbreghtiana Species Acanthaceae Eukaryota UNPD*
NPO15478 Senna sophera Species Fabaceae Eukaryota UNPD*
NPO21032 Manilkara hexandra Species Sapotaceae Eukaryota UNPD*
NPO4478 Parmelia pseudoreticulata Species Parmeliaceae Eukaryota UNPD*
NPO21725 Uncaria glabrata Species Rubiaceae Eukaryota UNPD*
NPO28103 Erica carnea Species Ericaceae Eukaryota UNPD*
NPO22499 Corydalis flabellata Species Papaveraceae Eukaryota UNPD*
NPO22048 Pteris palmiformis Species Pteridaceae Eukaryota UNPD*
NPO6414 Eupatorium cannabinum Species Asteraceae Eukaryota Aerial parts PMID[21391659]
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota UNPD*
NPO20707 Stillingia sanguinolenta Species Euphorbiaceae Eukaryota UNPD*
NPO27929 Aphanamixis polystachya Species Meliaceae Eukaryota UNPD*
NPO18123 Dichapetalum madagascariense Species Dichapetalaceae Eukaryota UNPD*
NPO15763 Huperzia lucidula Species Lycopodiaceae Eukaryota UNPD*
NPO20021 Physcia aegialita Species Physciaceae Eukaryota UNPD*
NPO20522 Pyura sacciformis Species Pyuridae Eukaryota UNPD*
NPO22887 Scutellaria violacea Species Lamiaceae Eukaryota UNPD*
NPO20896 Mimosa tenuiflora Species Fabaceae Eukaryota UNPD*
NPO20967 Doriopsilla albopunctata Species Dendrodorididae Eukaryota UNPD*
NPO21158 Viburnum fur Species Adoxaceae Eukaryota UNPD*
NPO19965 Helenium alternifolium Species Asteraceae Eukaryota UNPD*
NPO22113 Anthocercis genistoides Species Solanaceae Eukaryota UNPD*
NPO22698 Achillea pannonica Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 20.3 % 21391659
NPT2 Others Unspecified Inhibition = 23 % 21391659

  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 NPC41851 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
0.9626 High Similarity NPC26615
0.9537 High Similarity NPC190212
0.9217 High Similarity NPC327070
0.9217 High Similarity NPC325301
0.8957 High Similarity NPC328485
0.8898 High Similarity NPC469568
0.8868 High Similarity NPC94343
0.8818 High Similarity NPC75272
0.8818 High Similarity NPC471954
0.8761 High Similarity NPC197513
0.8729 High Similarity NPC132518
0.8729 High Similarity NPC477151
0.8707 High Similarity NPC98748
0.8707 High Similarity NPC160235
0.8696 High Similarity NPC160199
0.8661 High Similarity NPC228609
0.8649 High Similarity NPC98392
0.8621 High Similarity NPC206205
0.8611 High Similarity NPC304638
0.8611 High Similarity NPC471228
0.8611 High Similarity NPC235762
0.8598 High Similarity NPC174911
0.8559 High Similarity NPC322569
0.8532 High Similarity NPC93831
0.8532 High Similarity NPC475225
0.8512 High Similarity NPC287473
0.85 High Similarity NPC477152
0.8496 Intermediate Similarity NPC139946
0.8475 Intermediate Similarity NPC14177
0.8462 Intermediate Similarity NPC309434
0.8462 Intermediate Similarity NPC203124
0.8455 Intermediate Similarity NPC303141
0.8435 Intermediate Similarity NPC328593
0.8435 Intermediate Similarity NPC33749
0.8435 Intermediate Similarity NPC114918
0.8435 Intermediate Similarity NPC81808
0.8435 Intermediate Similarity NPC261453
0.843 Intermediate Similarity NPC117794
0.8426 Intermediate Similarity NPC253746
0.8421 Intermediate Similarity NPC228452
0.8413 Intermediate Similarity NPC472591
0.8407 Intermediate Similarity NPC183700
0.8407 Intermediate Similarity NPC471535
0.8403 Intermediate Similarity NPC165197
0.8396 Intermediate Similarity NPC246679
0.8396 Intermediate Similarity NPC257182
0.839 Intermediate Similarity NPC472593
0.8362 Intermediate Similarity NPC474967
0.8362 Intermediate Similarity NPC233669
0.8361 Intermediate Similarity NPC472592
0.8348 Intermediate Similarity NPC95381
0.8333 Intermediate Similarity NPC25168
0.8333 Intermediate Similarity NPC171843
0.8306 Intermediate Similarity NPC81261
0.8305 Intermediate Similarity NPC41567
0.8304 Intermediate Similarity NPC260952
0.8304 Intermediate Similarity NPC66834
0.8291 Intermediate Similarity NPC281277
0.8291 Intermediate Similarity NPC123559
0.8288 Intermediate Similarity NPC227255
0.8288 Intermediate Similarity NPC288760
0.8288 Intermediate Similarity NPC243677
0.8279 Intermediate Similarity NPC10154
0.8279 Intermediate Similarity NPC265413
0.8273 Intermediate Similarity NPC470202
0.8264 Intermediate Similarity NPC297193
0.8264 Intermediate Similarity NPC46634
0.8261 Intermediate Similarity NPC199462
0.8257 Intermediate Similarity NPC72729
0.825 Intermediate Similarity NPC470848
0.825 Intermediate Similarity NPC470849
0.8241 Intermediate Similarity NPC474073
0.8241 Intermediate Similarity NPC79241
0.8241 Intermediate Similarity NPC6597
0.824 Intermediate Similarity NPC131684
0.8235 Intermediate Similarity NPC328459
0.8235 Intermediate Similarity NPC141791
0.8235 Intermediate Similarity NPC263386
0.8235 Intermediate Similarity NPC90522
0.823 Intermediate Similarity NPC279887
0.823 Intermediate Similarity NPC68260
0.823 Intermediate Similarity NPC206341
0.822 Intermediate Similarity NPC122117
0.8205 Intermediate Similarity NPC232165
0.8203 Intermediate Similarity NPC211164
0.8198 Intermediate Similarity NPC130817
0.819 Intermediate Similarity NPC28784
0.819 Intermediate Similarity NPC296144
0.8182 Intermediate Similarity NPC477685
0.8182 Intermediate Similarity NPC476165
0.8174 Intermediate Similarity NPC226250
0.8167 Intermediate Similarity NPC72977
0.8165 Intermediate Similarity NPC33675
0.8165 Intermediate Similarity NPC299762
0.8158 Intermediate Similarity NPC282855
0.8158 Intermediate Similarity NPC26013
0.8151 Intermediate Similarity NPC94637
0.8148 Intermediate Similarity NPC283711
0.8148 Intermediate Similarity NPC312132
0.8148 Intermediate Similarity NPC259512
0.8145 Intermediate Similarity NPC329272
0.8142 Intermediate Similarity NPC233320
0.8136 Intermediate Similarity NPC163398
0.813 Intermediate Similarity NPC147896
0.813 Intermediate Similarity NPC184219
0.813 Intermediate Similarity NPC474532
0.8125 Intermediate Similarity NPC127676
0.8125 Intermediate Similarity NPC47284
0.812 Intermediate Similarity NPC217472
0.812 Intermediate Similarity NPC473931
0.812 Intermediate Similarity NPC474050
0.812 Intermediate Similarity NPC474114
0.8115 Intermediate Similarity NPC478058
0.8113 Intermediate Similarity NPC231150
0.811 Intermediate Similarity NPC7012
0.8103 Intermediate Similarity NPC280760
0.8091 Intermediate Similarity NPC248396
0.8091 Intermediate Similarity NPC129373
0.8091 Intermediate Similarity NPC48730
0.8087 Intermediate Similarity NPC208229
0.808 Intermediate Similarity NPC95034
0.808 Intermediate Similarity NPC66331
0.808 Intermediate Similarity NPC142087
0.808 Intermediate Similarity NPC257947
0.8073 Intermediate Similarity NPC152097
0.807 Intermediate Similarity NPC31274
0.807 Intermediate Similarity NPC470039
0.8067 Intermediate Similarity NPC240664
0.8067 Intermediate Similarity NPC65791
0.8053 Intermediate Similarity NPC53740
0.8051 Intermediate Similarity NPC161304
0.8049 Intermediate Similarity NPC275145
0.8047 Intermediate Similarity NPC329427
0.8047 Intermediate Similarity NPC317601
0.8033 Intermediate Similarity NPC147654
0.8018 Intermediate Similarity NPC252105
0.8018 Intermediate Similarity NPC80800
0.8017 Intermediate Similarity NPC275627
0.8017 Intermediate Similarity NPC478121
0.8016 Intermediate Similarity NPC473744
0.8 Intermediate Similarity NPC275519
0.8 Intermediate Similarity NPC29317
0.8 Intermediate Similarity NPC267539
0.8 Intermediate Similarity NPC254832
0.8 Intermediate Similarity NPC204257
0.8 Intermediate Similarity NPC229638
0.8 Intermediate Similarity NPC260775
0.8 Intermediate Similarity NPC176102
0.8 Intermediate Similarity NPC71108
0.7984 Intermediate Similarity NPC60517
0.7984 Intermediate Similarity NPC146886
0.7984 Intermediate Similarity NPC295406
0.7984 Intermediate Similarity NPC190086
0.7984 Intermediate Similarity NPC276962
0.7984 Intermediate Similarity NPC20443
0.7984 Intermediate Similarity NPC289572
0.7984 Intermediate Similarity NPC157478
0.7984 Intermediate Similarity NPC200422
0.7983 Intermediate Similarity NPC128825
0.7982 Intermediate Similarity NPC474352
0.7967 Intermediate Similarity NPC121168
0.7967 Intermediate Similarity NPC67300
0.7966 Intermediate Similarity NPC87563
0.7963 Intermediate Similarity NPC81010
0.7963 Intermediate Similarity NPC32977
0.7953 Intermediate Similarity NPC288290
0.7953 Intermediate Similarity NPC86257
0.7951 Intermediate Similarity NPC204466
0.7949 Intermediate Similarity NPC302371
0.7949 Intermediate Similarity NPC17693
0.7946 Intermediate Similarity NPC108497
0.7946 Intermediate Similarity NPC13426
0.7939 Intermediate Similarity NPC115861
0.7934 Intermediate Similarity NPC20230
0.7934 Intermediate Similarity NPC38181
0.7934 Intermediate Similarity NPC121866
0.7934 Intermediate Similarity NPC476020
0.7931 Intermediate Similarity NPC473809
0.7931 Intermediate Similarity NPC132720
0.7931 Intermediate Similarity NPC63345
0.7928 Intermediate Similarity NPC12931
0.7928 Intermediate Similarity NPC130756
0.7928 Intermediate Similarity NPC70677
0.7928 Intermediate Similarity NPC130103
0.792 Intermediate Similarity NPC137416
0.7917 Intermediate Similarity NPC325295
0.7917 Intermediate Similarity NPC200988
0.7917 Intermediate Similarity NPC76308
0.7917 Intermediate Similarity NPC145023
0.7917 Intermediate Similarity NPC175799
0.7917 Intermediate Similarity NPC610
0.7913 Intermediate Similarity NPC169450
0.7909 Intermediate Similarity NPC475078
0.7903 Intermediate Similarity NPC477153
0.7903 Intermediate Similarity NPC248786
0.7895 Intermediate Similarity NPC471602
0.7895 Intermediate Similarity NPC216312
0.7895 Intermediate Similarity NPC299405
0.7895 Intermediate Similarity NPC256463
0.7895 Intermediate Similarity NPC306835

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC41851 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
0.8396 Intermediate Similarity NPD844 Approved
0.8319 Intermediate Similarity NPD4626 Approved
0.825 Intermediate Similarity NPD3496 Discontinued
0.8235 Intermediate Similarity NPD5691 Approved
0.8167 Intermediate Similarity NPD1778 Approved
0.8148 Intermediate Similarity NPD288 Approved
0.7983 Intermediate Similarity NPD9493 Approved
0.7928 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7851 Intermediate Similarity NPD9545 Approved
0.775 Intermediate Similarity NPD6671 Approved
0.7739 Intermediate Similarity NPD3134 Approved
0.7672 Intermediate Similarity NPD1358 Approved
0.7612 Intermediate Similarity NPD2935 Discontinued
0.7545 Intermediate Similarity NPD845 Approved
0.7542 Intermediate Similarity NPD4750 Phase 3
0.7519 Intermediate Similarity NPD5736 Approved
0.75 Intermediate Similarity NPD2797 Approved
0.75 Intermediate Similarity NPD4060 Phase 1
0.75 Intermediate Similarity NPD7635 Approved
0.75 Intermediate Similarity NPD9697 Approved
0.7481 Intermediate Similarity NPD411 Approved
0.7477 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD422 Phase 1
0.746 Intermediate Similarity NPD1611 Approved
0.7458 Intermediate Similarity NPD9266 Approved
0.7458 Intermediate Similarity NPD74 Approved
0.7422 Intermediate Similarity NPD1283 Approved
0.7411 Intermediate Similarity NPD2860 Approved
0.7411 Intermediate Similarity NPD2859 Approved
0.7402 Intermediate Similarity NPD9717 Approved
0.7391 Intermediate Similarity NPD940 Approved
0.7391 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD8166 Discontinued
0.7391 Intermediate Similarity NPD846 Approved
0.7385 Intermediate Similarity NPD2237 Approved
0.7373 Intermediate Similarity NPD9267 Approved
0.7373 Intermediate Similarity NPD9264 Approved
0.7373 Intermediate Similarity NPD9263 Approved
0.7368 Intermediate Similarity NPD3020 Approved
0.736 Intermediate Similarity NPD5585 Approved
0.7321 Intermediate Similarity NPD2934 Approved
0.7321 Intermediate Similarity NPD2933 Approved
0.7313 Intermediate Similarity NPD447 Suspended
0.7313 Intermediate Similarity NPD230 Phase 1
0.7299 Intermediate Similarity NPD2346 Discontinued
0.7299 Intermediate Similarity NPD7266 Discontinued
0.7293 Intermediate Similarity NPD6663 Approved
0.7288 Intermediate Similarity NPD968 Approved
0.7279 Intermediate Similarity NPD4308 Phase 3
0.7273 Intermediate Similarity NPD228 Approved
0.7266 Intermediate Similarity NPD1608 Approved
0.7258 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD1809 Phase 2
0.7231 Intermediate Similarity NPD1203 Approved
0.7227 Intermediate Similarity NPD2342 Discontinued
0.7227 Intermediate Similarity NPD290 Approved
0.7227 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD6032 Approved
0.7226 Intermediate Similarity NPD1551 Phase 2
0.7218 Intermediate Similarity NPD3268 Approved
0.7209 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD4749 Approved
0.7188 Intermediate Similarity NPD1201 Approved
0.7188 Intermediate Similarity NPD1281 Approved
0.7183 Intermediate Similarity NPD1578 Phase 2
0.7177 Intermediate Similarity NPD4198 Discontinued
0.7167 Intermediate Similarity NPD2684 Approved
0.7154 Intermediate Similarity NPD1241 Discontinued
0.7154 Intermediate Similarity NPD6696 Suspended
0.7154 Intermediate Similarity NPD1398 Phase 1
0.7143 Intermediate Similarity NPD7003 Approved
0.7143 Intermediate Similarity NPD1444 Approved
0.7143 Intermediate Similarity NPD1445 Approved
0.7143 Intermediate Similarity NPD4628 Phase 3
0.7132 Intermediate Similarity NPD6653 Approved
0.713 Intermediate Similarity NPD111 Approved
0.7121 Intermediate Similarity NPD2861 Phase 2
0.7111 Intermediate Similarity NPD2979 Phase 3
0.7111 Intermediate Similarity NPD825 Approved
0.7111 Intermediate Similarity NPD826 Approved
0.7111 Intermediate Similarity NPD4140 Approved
0.7109 Intermediate Similarity NPD3847 Discontinued
0.7107 Intermediate Similarity NPD3022 Approved
0.7107 Intermediate Similarity NPD3021 Approved
0.7103 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD1470 Approved
0.7099 Intermediate Similarity NPD1164 Approved
0.709 Intermediate Similarity NPD6798 Discontinued
0.709 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD3764 Approved
0.709 Intermediate Similarity NPD2313 Discontinued
0.7087 Intermediate Similarity NPD1651 Approved
0.7077 Intermediate Similarity NPD4359 Approved
0.7077 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD5535 Approved
0.7071 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD6832 Phase 2
0.7063 Intermediate Similarity NPD2534 Approved
0.7063 Intermediate Similarity NPD2533 Approved
0.7063 Intermediate Similarity NPD2532 Approved
0.7059 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6355 Discontinued
0.7054 Intermediate Similarity NPD1535 Discovery
0.705 Intermediate Similarity NPD5762 Approved
0.705 Intermediate Similarity NPD5763 Approved
0.705 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD1019 Discontinued
0.7045 Intermediate Similarity NPD2798 Approved
0.704 Intermediate Similarity NPD255 Approved
0.704 Intermediate Similarity NPD256 Approved
0.7034 Intermediate Similarity NPD6647 Phase 2
0.7034 Intermediate Similarity NPD9261 Approved
0.7031 Intermediate Similarity NPD17 Approved
0.7031 Intermediate Similarity NPD3019 Approved
0.7031 Intermediate Similarity NPD2932 Approved
0.7029 Intermediate Similarity NPD2799 Discontinued
0.7025 Intermediate Similarity NPD2182 Approved
0.7023 Intermediate Similarity NPD3225 Approved
0.7015 Intermediate Similarity NPD7095 Approved
0.7015 Intermediate Similarity NPD4625 Phase 3
0.7008 Intermediate Similarity NPD3091 Approved
0.7008 Intermediate Similarity NPD1759 Phase 1
0.7008 Intermediate Similarity NPD1894 Discontinued
0.7007 Intermediate Similarity NPD1607 Approved
0.7 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2230 Approved
0.7 Intermediate Similarity NPD2232 Approved
0.7 Intermediate Similarity NPD1481 Phase 2
0.7 Intermediate Similarity NPD2233 Approved
0.6992 Remote Similarity NPD9494 Approved
0.6986 Remote Similarity NPD3226 Approved
0.6985 Remote Similarity NPD4307 Phase 2
0.6984 Remote Similarity NPD7340 Approved
0.6978 Remote Similarity NPD5408 Approved
0.6978 Remote Similarity NPD5404 Approved
0.6978 Remote Similarity NPD5405 Approved
0.6978 Remote Similarity NPD5406 Approved
0.6975 Remote Similarity NPD5909 Discontinued
0.6972 Remote Similarity NPD6190 Approved
0.6967 Remote Similarity NPD2067 Discontinued
0.6967 Remote Similarity NPD1792 Phase 2
0.6963 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6963 Remote Similarity NPD6859 Clinical (unspecified phase)
0.696 Remote Similarity NPD2629 Approved
0.696 Remote Similarity NPD690 Clinical (unspecified phase)
0.696 Remote Similarity NPD9618 Approved
0.696 Remote Similarity NPD9614 Approved
0.696 Remote Similarity NPD9281 Approved
0.6957 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6953 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6944 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6935 Remote Similarity NPD821 Approved
0.6935 Remote Similarity NPD7843 Approved
0.6929 Remote Similarity NPD6005 Phase 3
0.6929 Remote Similarity NPD5536 Phase 2
0.6929 Remote Similarity NPD6004 Phase 3
0.6929 Remote Similarity NPD6002 Phase 3
0.6929 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6929 Remote Similarity NPD7644 Approved
0.6929 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6929 Remote Similarity NPD1758 Phase 1
0.6923 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1610 Phase 2
0.6923 Remote Similarity NPD2066 Phase 3
0.6923 Remote Similarity NPD1238 Approved
0.6917 Remote Similarity NPD6584 Phase 3
0.6912 Remote Similarity NPD520 Approved
0.6906 Remote Similarity NPD7033 Discontinued
0.6905 Remote Similarity NPD709 Approved
0.6905 Remote Similarity NPD7157 Approved
0.6901 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6273 Approved
0.6892 Remote Similarity NPD2672 Discontinued
0.6889 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6875 Remote Similarity NPD800 Approved
0.6875 Remote Similarity NPD1548 Phase 1
0.6871 Remote Similarity NPD7458 Discontinued
0.687 Remote Similarity NPD2235 Phase 2
0.687 Remote Similarity NPD2231 Phase 2
0.687 Remote Similarity NPD3972 Approved
0.6866 Remote Similarity NPD1712 Approved
0.6864 Remote Similarity NPD1242 Phase 1
0.6861 Remote Similarity NPD1240 Approved
0.6857 Remote Similarity NPD4477 Approved
0.6857 Remote Similarity NPD6099 Approved
0.6857 Remote Similarity NPD4476 Approved
0.6857 Remote Similarity NPD6100 Approved
0.6855 Remote Similarity NPD969 Suspended
0.6855 Remote Similarity NPD6124 Clinical (unspecified phase)
0.685 Remote Similarity NPD694 Clinical (unspecified phase)
0.6847 Remote Similarity NPD1282 Approved
0.6842 Remote Similarity NPD6362 Approved
0.6842 Remote Similarity NPD987 Approved
0.6842 Remote Similarity NPD3266 Approved
0.6842 Remote Similarity NPD3267 Approved
0.6838 Remote Similarity NPD7985 Registered
0.6838 Remote Similarity NPD1048 Approved
0.6838 Remote Similarity NPD9495 Approved

Structure

External Identifiers

PubChem CID   53355237
ChEMBL   CHEMBL1795985
ZINC  

Physicochemical Properties

Molecular Weight:  246.13
ALogP:  1.9678
MLogP:  2.78
XLogP:  3.388
# Rotatable Bonds:  9
Polar Surface Area:  46.53
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  18

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