Natural Product: NPC98748

Natural Product ID:  NPC98748
Common Name:   9-Acetoxy-8,10-Dehydrothymol 3-O-Tiglate
IUPAC Name:   [2-(3-acetyloxyprop-1-en-2-yl)-5-methylphenyl] (E)-2-methylbut-2-enoate
Synonyms:  
Molecular Formula:   C17H20O4
Standard InCHIKey:  YQTJNXJVGGXRFW-WUXMJOGZSA-N
Standard InCHI:  InChI=1S/C17H20O4/c1-6-12(3)17(19)21-16-9-11(2)7-8-15(16)13(4)10-20-14(5)18/h6-9H,4,10H2,1-3,5H3/b12-6+
Canonical SMILES:  C/C=C(/C(=O)Oc1cc(C)ccc1C(=C)COC(=O)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
NPO4478 Parmelia pseudoreticulata Species Parmeliaceae Eukaryota UNPD*
NPO20583 Phaulopsis imbricata Species Acanthaceae Eukaryota UNPD*
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota UNPD*
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota UNPD*
NPO27929 Aphanamixis polystachya Species Meliaceae Eukaryota UNPD*
NPO20771 Thalictrum fortunei Species Ranunculaceae Eukaryota UNPD*
NPO21089 Mourera fluviatilis Species Podostemaceae Eukaryota UNPD*
NPO6414 Eupatorium cannabinum Species Asteraceae Eukaryota UNPD*
NPO14240 Justicia ghiesbreghtiana Species Acanthaceae Eukaryota UNPD*
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota UNPD*
NPO20381 Echites hirsuta Species Apocynaceae Eukaryota UNPD*
NPO18123 Dichapetalum madagascariense Species Dichapetalaceae Eukaryota UNPD*
NPO19965 Helenium alternifolium Species Asteraceae Eukaryota UNPD*
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota UNPD*
NPO21654 Cyerce cristallina Species Caliphyllidae Eukaryota UNPD*
NPO8115 Polyopes affinis Species Halymeniaceae Eukaryota UNPD*
NPO15763 Huperzia lucidula Species Lycopodiaceae Eukaryota UNPD*
NPO26325 Annulusmagnus triseptatus Species Annulatascaceae Eukaryota UNPD*
NPO21032 Manilkara hexandra Species Sapotaceae Eukaryota UNPD*
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota UNPD*
NPO20835 Medicago truncatula Species Fabaceae Eukaryota UNPD*
NPO20457 Spirastrella inconstans Species Spirastrellidae Eukaryota UNPD*
NPO20088 Piper sintenense Species Piperaceae Eukaryota UNPD*
NPO21599 Ricciocarpos natans Species Ricciaceae Eukaryota UNPD*
NPO22308 Stevia satureiaefolia Species Asteraceae Eukaryota UNPD*
NPO20261 Teucrium trifidum Species Lamiaceae Eukaryota UNPD*
NPO5603 Eupatorium fortunei turcz Species Asteraceae Eukaryota TCMSP*
NPO22499 Corydalis flabellata Species Papaveraceae Eukaryota UNPD*
NPO20522 Pyura sacciformis Species Pyuridae Eukaryota UNPD*
NPO20203 Syringa komarowi Species Oleaceae Eukaryota UNPD*
NPO28103 Erica carnea Species Ericaceae Eukaryota UNPD*
NPO20967 Doriopsilla albopunctata Species Dendrodorididae Eukaryota UNPD*
NPO21725 Uncaria glabrata Species Rubiaceae Eukaryota UNPD*
NPO22048 Pteris palmiformis Species Pteridaceae Eukaryota UNPD*
NPO20896 Mimosa tenuiflora Species Fabaceae Eukaryota UNPD*
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota TCM_Taiwan*
NPO22438 Asclepias speciosa Species Apocynaceae Eukaryota UNPD*
NPO6414 Eupatorium cannabinum Species Asteraceae Eukaryota Aerial parts PMID[21391659]
NPO27489 Alloascoidea hylecoeti Species Alloascoideaceae Eukaryota UNPD*
NPO22953 Eupatorium pauciflorum Species Asteraceae Eukaryota UNPD*
NPO20021 Physcia aegialita Species Physciaceae Eukaryota UNPD*
NPO13409 Crocus asturicus Species Iridaceae Eukaryota UNPD*
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota UNPD*
NPO21158 Viburnum fur Species Adoxaceae Eukaryota UNPD*
NPO22372 Callicarpa bodinieri Species Lamiaceae Eukaryota UNPD*
NPO21413 Armillaria tabescens Species Physalacriaceae Eukaryota UNPD*
NPO19891 Diospyros crassiflora Species Ebenaceae Eukaryota UNPD*
NPO20707 Stillingia sanguinolenta Species Euphorbiaceae Eukaryota UNPD*
NPO22113 Anthocercis genistoides Species Solanaceae Eukaryota UNPD*
NPO15478 Senna sophera Species Fabaceae Eukaryota UNPD*
NPO22887 Scutellaria violacea Species Lamiaceae Eukaryota UNPD*
NPO23006 Moringa stenopetala Species Moringaceae Eukaryota UNPD*
NPO22698 Achillea pannonica Species Asteraceae Eukaryota UNPD*
NPO22756 Epimedium versicolor Species Berberidaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 8500 nM 21391659
NPT2 Others Unspecified Inhibition = 36.6 % 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 NPC98748 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
0.9823 High Similarity NPC322569
0.9328 High Similarity NPC329272
0.9027 High Similarity NPC280760
0.8926 High Similarity NPC170749
0.887 High Similarity NPC87563
0.8707 High Similarity NPC41851
0.8584 High Similarity NPC157473
0.8584 High Similarity NPC151530
0.8583 High Similarity NPC14177
0.8525 High Similarity NPC473464
0.8525 High Similarity NPC325301
0.8525 High Similarity NPC476332
0.8522 High Similarity NPC473809
0.8496 Intermediate Similarity NPC176971
0.845 Intermediate Similarity NPC211164
0.8435 Intermediate Similarity NPC149545
0.843 Intermediate Similarity NPC193193
0.843 Intermediate Similarity NPC473290
0.843 Intermediate Similarity NPC31314
0.843 Intermediate Similarity NPC471504
0.8413 Intermediate Similarity NPC81261
0.8407 Intermediate Similarity NPC473855
0.8407 Intermediate Similarity NPC139891
0.8407 Intermediate Similarity NPC128730
0.8376 Intermediate Similarity NPC26615
0.8374 Intermediate Similarity NPC327070
0.8333 Intermediate Similarity NPC326447
0.8333 Intermediate Similarity NPC471503
0.8333 Intermediate Similarity NPC95034
0.8333 Intermediate Similarity NPC142087
0.8333 Intermediate Similarity NPC471498
0.8319 Intermediate Similarity NPC283546
0.8305 Intermediate Similarity NPC190212
0.8295 Intermediate Similarity NPC317601
0.8295 Intermediate Similarity NPC329427
0.8293 Intermediate Similarity NPC476165
0.8268 Intermediate Similarity NPC472519
0.8264 Intermediate Similarity NPC159916
0.8264 Intermediate Similarity NPC293424
0.8254 Intermediate Similarity NPC101894
0.825 Intermediate Similarity NPC163398
0.825 Intermediate Similarity NPC33717
0.8246 Intermediate Similarity NPC227255
0.8246 Intermediate Similarity NPC288760
0.824 Intermediate Similarity NPC89630
0.824 Intermediate Similarity NPC201667
0.824 Intermediate Similarity NPC73413
0.824 Intermediate Similarity NPC147896
0.823 Intermediate Similarity NPC24327
0.823 Intermediate Similarity NPC179686
0.823 Intermediate Similarity NPC12870
0.822 Intermediate Similarity NPC199462
0.8211 Intermediate Similarity NPC235190
0.8211 Intermediate Similarity NPC163200
0.8211 Intermediate Similarity NPC180006
0.8211 Intermediate Similarity NPC267064
0.8209 Intermediate Similarity NPC472523
0.8205 Intermediate Similarity NPC25067
0.8205 Intermediate Similarity NPC231251
0.8205 Intermediate Similarity NPC88868
0.8203 Intermediate Similarity NPC168710
0.8197 Intermediate Similarity NPC37858
0.8197 Intermediate Similarity NPC234956
0.819 Intermediate Similarity NPC291837
0.8189 Intermediate Similarity NPC473993
0.8182 Intermediate Similarity NPC115861
0.8182 Intermediate Similarity NPC183154
0.8182 Intermediate Similarity NPC263754
0.8175 Intermediate Similarity NPC471828
0.8175 Intermediate Similarity NPC471827
0.8174 Intermediate Similarity NPC30416
0.8168 Intermediate Similarity NPC287182
0.8168 Intermediate Similarity NPC319859
0.8168 Intermediate Similarity NPC127888
0.8168 Intermediate Similarity NPC55149
0.8168 Intermediate Similarity NPC18804
0.8168 Intermediate Similarity NPC164269
0.8168 Intermediate Similarity NPC260265
0.8168 Intermediate Similarity NPC307412
0.8168 Intermediate Similarity NPC267412
0.8168 Intermediate Similarity NPC100986
0.8168 Intermediate Similarity NPC166672
0.8168 Intermediate Similarity NPC47163
0.8168 Intermediate Similarity NPC84894
0.8168 Intermediate Similarity NPC198381
0.8168 Intermediate Similarity NPC74655
0.8168 Intermediate Similarity NPC195343
0.816 Intermediate Similarity NPC273772
0.816 Intermediate Similarity NPC109675
0.816 Intermediate Similarity NPC248786
0.816 Intermediate Similarity NPC472518
0.8151 Intermediate Similarity NPC303522
0.8148 Intermediate Similarity NPC469564
0.8142 Intermediate Similarity NPC307425
0.8142 Intermediate Similarity NPC84325
0.814 Intermediate Similarity NPC19242
0.814 Intermediate Similarity NPC183348
0.814 Intermediate Similarity NPC282230
0.814 Intermediate Similarity NPC80170
0.813 Intermediate Similarity NPC474874
0.813 Intermediate Similarity NPC328485
0.813 Intermediate Similarity NPC230951
0.8125 Intermediate Similarity NPC199204
0.8115 Intermediate Similarity NPC124916
0.8115 Intermediate Similarity NPC171023
0.8115 Intermediate Similarity NPC277460
0.811 Intermediate Similarity NPC127604
0.811 Intermediate Similarity NPC128321
0.8106 Intermediate Similarity NPC281241
0.8106 Intermediate Similarity NPC471625
0.8106 Intermediate Similarity NPC472424
0.8106 Intermediate Similarity NPC86892
0.8106 Intermediate Similarity NPC471909
0.8099 Intermediate Similarity NPC128633
0.8095 Intermediate Similarity NPC276962
0.8095 Intermediate Similarity NPC474237
0.8095 Intermediate Similarity NPC27671
0.8095 Intermediate Similarity NPC56332
0.8095 Intermediate Similarity NPC469568
0.8095 Intermediate Similarity NPC190086
0.8092 Intermediate Similarity NPC167111
0.8092 Intermediate Similarity NPC233018
0.8092 Intermediate Similarity NPC133956
0.8092 Intermediate Similarity NPC222036
0.8092 Intermediate Similarity NPC241341
0.8092 Intermediate Similarity NPC296624
0.8092 Intermediate Similarity NPC36437
0.8092 Intermediate Similarity NPC31849
0.8092 Intermediate Similarity NPC318400
0.8092 Intermediate Similarity NPC207002
0.8092 Intermediate Similarity NPC471910
0.8092 Intermediate Similarity NPC7526
0.8087 Intermediate Similarity NPC473393
0.808 Intermediate Similarity NPC302211
0.808 Intermediate Similarity NPC132518
0.808 Intermediate Similarity NPC248429
0.808 Intermediate Similarity NPC96286
0.808 Intermediate Similarity NPC477151
0.808 Intermediate Similarity NPC188997
0.8077 Intermediate Similarity NPC15083
0.8077 Intermediate Similarity NPC470977
0.8077 Intermediate Similarity NPC196979
0.8077 Intermediate Similarity NPC470976
0.8062 Intermediate Similarity NPC271832
0.8062 Intermediate Similarity NPC66246
0.8062 Intermediate Similarity NPC170546
0.8053 Intermediate Similarity NPC107101
0.8049 Intermediate Similarity NPC298796
0.8049 Intermediate Similarity NPC281356
0.8049 Intermediate Similarity NPC264976
0.8047 Intermediate Similarity NPC161322
0.8047 Intermediate Similarity NPC156298
0.8047 Intermediate Similarity NPC474670
0.8045 Intermediate Similarity NPC177281
0.8045 Intermediate Similarity NPC160727
0.8045 Intermediate Similarity NPC283019
0.8045 Intermediate Similarity NPC149320
0.8045 Intermediate Similarity NPC476455
0.8045 Intermediate Similarity NPC55615
0.8045 Intermediate Similarity NPC471630
0.8045 Intermediate Similarity NPC128529
0.8036 Intermediate Similarity NPC470161
0.8016 Intermediate Similarity NPC470887
0.8016 Intermediate Similarity NPC279379
0.8016 Intermediate Similarity NPC315807
0.8016 Intermediate Similarity NPC21238
0.8016 Intermediate Similarity NPC261992
0.8015 Intermediate Similarity NPC319969
0.8015 Intermediate Similarity NPC137669
0.8015 Intermediate Similarity NPC14248
0.8 Intermediate Similarity NPC90903
0.8 Intermediate Similarity NPC476191
0.8 Intermediate Similarity NPC249425
0.8 Intermediate Similarity NPC109637
0.7985 Intermediate Similarity NPC155963
0.7984 Intermediate Similarity NPC185066
0.7984 Intermediate Similarity NPC176590
0.7983 Intermediate Similarity NPC245552
0.7983 Intermediate Similarity NPC233238
0.797 Intermediate Similarity NPC291119
0.797 Intermediate Similarity NPC469675
0.797 Intermediate Similarity NPC281169
0.7969 Intermediate Similarity NPC234109
0.7969 Intermediate Similarity NPC471826
0.7969 Intermediate Similarity NPC188327
0.7967 Intermediate Similarity NPC96705
0.7967 Intermediate Similarity NPC152306
0.7967 Intermediate Similarity NPC152159
0.7967 Intermediate Similarity NPC265547
0.7966 Intermediate Similarity NPC259554
0.7955 Intermediate Similarity NPC470871
0.7955 Intermediate Similarity NPC472524
0.7953 Intermediate Similarity NPC60517
0.7953 Intermediate Similarity NPC470163
0.7953 Intermediate Similarity NPC470162
0.7953 Intermediate Similarity NPC146886
0.7953 Intermediate Similarity NPC20443
0.7934 Intermediate Similarity NPC197513
0.7931 Intermediate Similarity NPC238115
0.7926 Intermediate Similarity NPC151946

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC98748 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
0.8824 High Similarity NPD3496 Discontinued
0.8814 High Similarity NPD5691 Approved
0.8443 Intermediate Similarity NPD1611 Approved
0.843 Intermediate Similarity NPD4626 Approved
0.843 Intermediate Similarity NPD1778 Approved
0.8407 Intermediate Similarity NPD9697 Approved
0.8333 Intermediate Similarity NPD3134 Approved
0.8333 Intermediate Similarity NPD2237 Approved
0.8261 Intermediate Similarity NPD1358 Approved
0.822 Intermediate Similarity NPD5535 Approved
0.8197 Intermediate Similarity NPD5585 Approved
0.8125 Intermediate Similarity NPD6832 Phase 2
0.8092 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.8015 Intermediate Similarity NPD4307 Phase 2
0.7969 Intermediate Similarity NPD1019 Discontinued
0.7891 Intermediate Similarity NPD3267 Approved
0.7891 Intermediate Similarity NPD2797 Approved
0.7891 Intermediate Similarity NPD3266 Approved
0.7886 Intermediate Similarity NPD7644 Approved
0.7874 Intermediate Similarity NPD4359 Approved
0.7869 Intermediate Similarity NPD6671 Approved
0.7863 Intermediate Similarity NPD411 Approved
0.7851 Intermediate Similarity NPD1241 Discontinued
0.7795 Intermediate Similarity NPD9717 Approved
0.7794 Intermediate Similarity NPD2346 Discontinued
0.7778 Intermediate Similarity NPD4308 Phase 3
0.7744 Intermediate Similarity NPD4060 Phase 1
0.7744 Intermediate Similarity NPD2979 Phase 3
0.7731 Intermediate Similarity NPD2684 Approved
0.7727 Intermediate Similarity NPD3268 Approved
0.7721 Intermediate Similarity NPD6032 Approved
0.7698 Intermediate Similarity NPD17 Approved
0.7687 Intermediate Similarity NPD447 Suspended
0.7626 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7623 Intermediate Similarity NPD7843 Approved
0.7612 Intermediate Similarity NPD4140 Approved
0.76 Intermediate Similarity NPD5536 Phase 2
0.7594 Intermediate Similarity NPD2313 Discontinued
0.7594 Intermediate Similarity NPD6798 Discontinued
0.7594 Intermediate Similarity NPD7985 Registered
0.7591 Intermediate Similarity NPD2935 Discontinued
0.7581 Intermediate Similarity NPD7157 Approved
0.7578 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD1281 Approved
0.7578 Intermediate Similarity NPD422 Phase 1
0.7556 Intermediate Similarity NPD6355 Discontinued
0.7538 Intermediate Similarity NPD3225 Approved
0.7537 Intermediate Similarity NPD8032 Phase 2
0.7537 Intermediate Similarity NPD4870 Approved
0.7536 Intermediate Similarity NPD5763 Approved
0.7536 Intermediate Similarity NPD5762 Approved
0.7519 Intermediate Similarity NPD7095 Approved
0.7519 Intermediate Similarity NPD1608 Approved
0.7518 Intermediate Similarity NPD2799 Discontinued
0.75 Intermediate Similarity NPD290 Approved
0.75 Intermediate Similarity NPD6653 Approved
0.75 Intermediate Similarity NPD4628 Phase 3
0.7481 Intermediate Similarity NPD1203 Approved
0.748 Intermediate Similarity NPD1651 Approved
0.7463 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD3226 Approved
0.7444 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD2557 Approved
0.7429 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD4622 Approved
0.7426 Intermediate Similarity NPD4618 Approved
0.7419 Intermediate Similarity NPD5283 Phase 1
0.741 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD1283 Approved
0.7402 Intermediate Similarity NPD1894 Discontinued
0.7385 Intermediate Similarity NPD3972 Approved
0.7364 Intermediate Similarity NPD3847 Discontinued
0.7361 Intermediate Similarity NPD2675 Approved
0.7361 Intermediate Similarity NPD2676 Approved
0.7361 Intermediate Similarity NPD6273 Approved
0.7348 Intermediate Similarity NPD6362 Approved
0.7344 Intermediate Similarity NPD3443 Approved
0.7344 Intermediate Similarity NPD3445 Approved
0.7344 Intermediate Similarity NPD3444 Approved
0.7338 Intermediate Similarity NPD1551 Phase 2
0.7338 Intermediate Similarity NPD2531 Phase 2
0.7338 Intermediate Similarity NPD2438 Suspended
0.7333 Intermediate Similarity NPD1296 Phase 2
0.7328 Intermediate Similarity NPD4749 Approved
0.7328 Intermediate Similarity NPD5327 Phase 3
0.7319 Intermediate Similarity NPD5689 Approved
0.7319 Intermediate Similarity NPD7097 Phase 1
0.7319 Intermediate Similarity NPD5688 Approved
0.7313 Intermediate Similarity NPD2614 Approved
0.7299 Intermediate Similarity NPD1933 Approved
0.7299 Intermediate Similarity NPD5124 Phase 1
0.7299 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD2798 Approved
0.7292 Intermediate Similarity NPD1578 Phase 2
0.7292 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD6004 Phase 3
0.7286 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD6005 Phase 3
0.7286 Intermediate Similarity NPD6800 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD6002 Phase 3
0.7279 Intermediate Similarity NPD6233 Phase 2
0.7273 Intermediate Similarity NPD6696 Suspended
0.7273 Intermediate Similarity NPD968 Approved
0.7266 Intermediate Similarity NPD7033 Discontinued
0.7266 Intermediate Similarity NPD3748 Approved
0.7258 Intermediate Similarity NPD1139 Approved
0.7258 Intermediate Similarity NPD1137 Approved
0.7254 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD4110 Phase 3
0.7246 Intermediate Similarity NPD2653 Approved
0.7241 Intermediate Similarity NPD844 Approved
0.7241 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD2861 Phase 2
0.7234 Intermediate Similarity NPD2424 Discontinued
0.7214 Intermediate Similarity NPD4477 Approved
0.7214 Intermediate Similarity NPD2796 Approved
0.7214 Intermediate Similarity NPD4476 Approved
0.7209 Intermediate Similarity NPD3049 Approved
0.7206 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD1138 Approved
0.72 Intermediate Similarity NPD821 Approved
0.7197 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD1652 Phase 2
0.7176 Intermediate Similarity NPD1535 Discovery
0.7176 Intermediate Similarity NPD3705 Approved
0.7172 Intermediate Similarity NPD7446 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD6599 Discontinued
0.7154 Intermediate Similarity NPD2182 Approved
0.7153 Intermediate Similarity NPD4062 Phase 3
0.7143 Intermediate Similarity NPD1398 Phase 1
0.7143 Intermediate Similarity NPD592 Approved
0.7143 Intermediate Similarity NPD594 Approved
0.7133 Intermediate Similarity NPD7819 Suspended
0.7133 Intermediate Similarity NPD7003 Approved
0.7132 Intermediate Similarity NPD5163 Phase 2
0.7132 Intermediate Similarity NPD5746 Approved
0.7132 Intermediate Similarity NPD4625 Phase 3
0.7121 Intermediate Similarity NPD2231 Phase 2
0.7121 Intermediate Similarity NPD2235 Phase 2
0.7121 Intermediate Similarity NPD1481 Phase 2
0.7113 Intermediate Similarity NPD2897 Discontinued
0.7111 Intermediate Similarity NPD1712 Approved
0.7109 Intermediate Similarity NPD7340 Approved
0.7109 Intermediate Similarity NPD3596 Phase 2
0.7109 Intermediate Similarity NPD9493 Approved
0.7103 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD6799 Approved
0.7101 Intermediate Similarity NPD2203 Discontinued
0.7097 Intermediate Similarity NPD2067 Discontinued
0.7097 Intermediate Similarity NPD5451 Approved
0.709 Intermediate Similarity NPD987 Approved
0.7083 Intermediate Similarity NPD3887 Approved
0.708 Intermediate Similarity NPD1048 Approved
0.7078 Intermediate Similarity NPD8127 Discontinued
0.7075 Intermediate Similarity NPD920 Approved
0.7068 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD3685 Discontinued
0.7063 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD4908 Phase 1
0.7055 Intermediate Similarity NPD2532 Approved
0.7055 Intermediate Similarity NPD2534 Approved
0.7055 Intermediate Similarity NPD2533 Approved
0.705 Intermediate Similarity NPD4340 Discontinued
0.7045 Intermediate Similarity NPD1091 Approved
0.704 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD3690 Phase 2
0.7037 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD3691 Phase 2
0.7037 Intermediate Similarity NPD6584 Phase 3
0.7037 Intermediate Similarity NPD5647 Approved
0.7034 Intermediate Similarity NPD6666 Approved
0.7034 Intermediate Similarity NPD288 Approved
0.7034 Intermediate Similarity NPD6667 Approved
0.7031 Intermediate Similarity NPD6387 Discontinued
0.7031 Intermediate Similarity NPD709 Approved
0.7029 Intermediate Similarity NPD5745 Approved
0.7027 Intermediate Similarity NPD1653 Approved
0.7025 Intermediate Similarity NPD5844 Phase 1
0.7023 Intermediate Similarity NPD2107 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD2556 Approved
0.7023 Intermediate Similarity NPD2554 Approved
0.7023 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD1876 Approved
0.7015 Intermediate Similarity NPD8651 Approved
0.7014 Intermediate Similarity NPD3750 Approved
0.7014 Intermediate Similarity NPD7982 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD2598 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD9545 Approved
0.7 Intermediate Similarity NPD6580 Approved
0.7 Intermediate Similarity NPD1182 Approved
0.7 Intermediate Similarity NPD6581 Approved
0.6992 Remote Similarity NPD2233 Approved
0.6992 Remote Similarity NPD2232 Approved
0.6992 Remote Similarity NPD2230 Approved
0.6984 Remote Similarity NPD228 Approved
0.698 Remote Similarity NPD7458 Discontinued
0.6978 Remote Similarity NPD3142 Approved

Structure

External Identifiers

PubChem CID   10869933
ChEMBL   CHEMBL1795991
ZINC  

Physicochemical Properties

Molecular Weight:  288.14
ALogP:  2.3469
MLogP:  2.89
XLogP:  4.128
# Rotatable Bonds:  11
Polar Surface Area:  52.6
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  21

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Biological Activities  
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