Natural Product: NPC86947

Natural Product ID:  NPC86947
Common Name:   Isomagnolol
IUPAC Name:   4-prop-2-enyl-2-(4-prop-2-enylphenoxy)phenol
Synonyms:   Isomagnolol
Molecular Formula:   C18H18O2
Standard InCHIKey:  ROPDWYIWHWKVLI-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C18H18O2/c1-3-5-14-7-10-16(11-8-14)20-18-13-15(6-4-2)9-12-17(18)19/h3-4,7-13,19H,1-2,5-6H2
Canonical SMILES:  C=CCc1ccc(cc1)Oc1cc(CC=C)ccc1O
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
NPO11791 Magnolia obovata Species Magnoliaceae Eukaryota UNPD*
NPO17166 Euphorbia palustris Species Euphorbiaceae Eukaryota UNPD*
NPO8583 Angelica japonica Species Apiaceae Eukaryota UNPD*
NPO17358 Sorbus torminalis Species Rosaceae Eukaryota UNPD*
NPO15405 Suaeda maritima Species Chenopodiaceae Eukaryota UNPD*
NPO2070 Thioalkalivibrio versutus Species Ectothiorhodospiraceae Bacteria UNPD*
NPO11246 Ononis viscosa Species Fabaceae Eukaryota UNPD*
NPO2680 Holothuria squamifera Species Holothuriidae Eukaryota UNPD*
NPO14455 Triunia erythrocarpa Species Proteaceae Eukaryota UNPD*
NPO6698 Euphorbia pithyusa Species Euphorbiaceae Eukaryota UNPD*
NPO27148 Chuquiraga erinacea Species Asteraceae Eukaryota UNPD*
NPO15299 Sandoricum koetjape Species Meliaceae Eukaryota UNPD*
NPO11592 Cuphea hyssopifolia Species Lythraceae Eukaryota UNPD*
NPO15514 Pedicularis rex Species Orobanchaceae Eukaryota UNPD*
NPO18026 Bipolaris sacchari Species Pleosporaceae Eukaryota UNPD*
NPO13745 Gynoxys verrucosa Species Asteraceae Eukaryota UNPD*
NPO13617 Eria rigida Species Orchidaceae Eukaryota UNPD*
NPO5998 Echinoclathria subhispida Species Microcionidae Eukaryota UNPD*
NPO9538 Pterocarpus erinaceus Species Fabaceae Eukaryota UNPD*
NPO3482 Alpinia flabellata Species Zingiberaceae Eukaryota UNPD*
NPO14329 Sigillina signifera Species Polycitoridae Eukaryota UNPD*
NPO28043 Streblus asper Species Moraceae Eukaryota Roots PMID[23434030]
NPO14194 Mamestra brassicae Species Noctuidae Eukaryota UNPD*
NPO12483 Holarrhena floribunda Species Apocynaceae Eukaryota UNPD*
NPO4282 Fouquieria diguetii Species Fouquieriaceae Eukaryota UNPD*
NPO15992 Hypogymnia vittata Species Parmeliaceae Eukaryota UNPD*
NPO25118 Centaurea benedicta Species Asteraceae Eukaryota UNPD*
NPO13465 Salvia broussonetii Species Lamiaceae Eukaryota UNPD*
NPO17336 Benincasa hispida Species Cucurbitaceae Eukaryota UNPD*
NPO7009 Callyspongia spinosissima Species Callyspongiidae Eukaryota UNPD*
NPO273 Phyllobates bicolor Species Dendrobatidae Eukaryota UNPD*
NPO9133 Lathyrus latifolius Species Fabaceae Eukaryota UNPD*
NPO7844 Fritillaria hupehensis Species Liliaceae Eukaryota UNPD*
NPO15190 Chloranthus fortunei Species Chloranthaceae Eukaryota UNPD*
NPO13228 Farfugium japonicum Species Asteraceae Eukaryota UNPD*
NPO8721 Parectatosoma mocquerysi Species Anisacanthidae Eukaryota UNPD*
NPO12018 Alternaria bataticola Species Pleosporaceae Eukaryota UNPD*
NPO13018 Thelephora aurantiotincta Species Thelephoraceae Eukaryota UNPD*
NPO13353 Sedum sarmentosum Species Crassulaceae Eukaryota UNPD*
NPO2043 Pseudocyphellaria coronata Species Lobariaceae Eukaryota UNPD*
NPO10048 Pyrus bourgaeana Species Rosaceae Eukaryota UNPD*
NPO10905 Baccharis truncata Species Asteraceae Eukaryota UNPD*
NPO10532 Pinus edulis Species Pinaceae Eukaryota UNPD*
NPO2568 Posidonia oceanica Species Posidoniaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens IC50 = 51800 nM 15582432
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC = 25 ug/ml 10.1021/np50028a012
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC = 1.56 ug/ml 10.1021/np50028a012
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 3.12 ug/ml 10.1021/np50028a012
NPT602 Organism Mycobacterium smegmatis Mycobacterium smegmatis MIC = 1.56 ug/ml 10.1021/np50028a012
NPT2 Others Unspecified Ratio CC50/IC50 = 15.13 23434030
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 = 12920 nM 23434030
NPT2 Others Unspecified Ratio CC50/IC50 = 22.14 23434030
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 = 8830 nM 23434030
NPT2 Others Unspecified Ratio CC50/IC50 = 18.91 23434030
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 = 10340 nM 23434030
NPT2 Others Unspecified CC50 = 195500 nM 23434030

  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 NPC86947 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
0.9561 High Similarity NPC127389
0.9561 High Similarity NPC290451
0.9381 High Similarity NPC470626
0.9316 High Similarity NPC122792
0.9316 High Similarity NPC228972
0.9298 High Similarity NPC310338
0.9298 High Similarity NPC281298
0.9292 High Similarity NPC293619
0.9237 High Similarity NPC87113
0.9237 High Similarity NPC194519
0.9237 High Similarity NPC3221
0.9217 High Similarity NPC242885
0.9217 High Similarity NPC165133
0.9217 High Similarity NPC232316
0.9217 High Similarity NPC95614
0.9217 High Similarity NPC117780
0.9217 High Similarity NPC227217
0.9217 High Similarity NPC56214
0.916 High Similarity NPC156854
0.916 High Similarity NPC17837
0.916 High Similarity NPC58607
0.916 High Similarity NPC191037
0.916 High Similarity NPC304630
0.916 High Similarity NPC178284
0.916 High Similarity NPC134431
0.9153 High Similarity NPC114901
0.9153 High Similarity NPC293701
0.9153 High Similarity NPC48990
0.9138 High Similarity NPC207613
0.9099 High Similarity NPC173746
0.9099 High Similarity NPC257124
0.9099 High Similarity NPC8547
0.9099 High Similarity NPC156840
0.9083 High Similarity NPC319625
0.9083 High Similarity NPC147821
0.9083 High Similarity NPC470699
0.9083 High Similarity NPC41706
0.9083 High Similarity NPC210355
0.9083 High Similarity NPC163332
0.9083 High Similarity NPC292056
0.9083 High Similarity NPC183181
0.9083 High Similarity NPC111247
0.9083 High Similarity NPC118787
0.9068 High Similarity NPC317769
0.9068 High Similarity NPC31344
0.906 High Similarity NPC262156
0.906 High Similarity NPC38996
0.906 High Similarity NPC324571
0.906 High Similarity NPC312675
0.906 High Similarity NPC160380
0.906 High Similarity NPC184651
0.906 High Similarity NPC343720
0.906 High Similarity NPC54872
0.906 High Similarity NPC470212
0.906 High Similarity NPC473853
0.906 High Similarity NPC113865
0.9008 High Similarity NPC72529
0.9008 High Similarity NPC226661
0.9 High Similarity NPC181361
0.8992 High Similarity NPC94276
0.8992 High Similarity NPC109822
0.8992 High Similarity NPC74478
0.8983 High Similarity NPC71090
0.8983 High Similarity NPC85488
0.8957 High Similarity NPC164386
0.8934 High Similarity NPC86030
0.8934 High Similarity NPC241354
0.8934 High Similarity NPC210655
0.8934 High Similarity NPC5851
0.8919 High Similarity NPC7097
0.8919 High Similarity NPC36108
0.8919 High Similarity NPC233731
0.8919 High Similarity NPC246358
0.8908 High Similarity NPC471693
0.8908 High Similarity NPC280704
0.8862 High Similarity NPC472338
0.885 High Similarity NPC165646
0.8843 High Similarity NPC213552
0.8843 High Similarity NPC120225
0.8824 High Similarity NPC41562
0.8814 High Similarity NPC109083
0.8814 High Similarity NPC60962
0.8814 High Similarity NPC224814
0.8814 High Similarity NPC189844
0.8814 High Similarity NPC14007
0.8814 High Similarity NPC269843
0.8803 High Similarity NPC24474
0.8803 High Similarity NPC311595
0.879 High Similarity NPC472597
0.8761 High Similarity NPC55300
0.8761 High Similarity NPC78918
0.8761 High Similarity NPC139617
0.8761 High Similarity NPC195873
0.876 High Similarity NPC228771
0.876 High Similarity NPC233410
0.876 High Similarity NPC53305
0.876 High Similarity NPC221077
0.876 High Similarity NPC472093
0.876 High Similarity NPC29008
0.876 High Similarity NPC266705
0.876 High Similarity NPC193544
0.876 High Similarity NPC257589
0.876 High Similarity NPC9067
0.876 High Similarity NPC117214
0.876 High Similarity NPC208950
0.876 High Similarity NPC203133
0.876 High Similarity NPC60885
0.876 High Similarity NPC298757
0.876 High Similarity NPC116907
0.876 High Similarity NPC57490
0.876 High Similarity NPC251855
0.876 High Similarity NPC17943
0.876 High Similarity NPC148627
0.876 High Similarity NPC289459
0.876 High Similarity NPC234400
0.876 High Similarity NPC475169
0.875 High Similarity NPC197757
0.875 High Similarity NPC228922
0.8739 High Similarity NPC145780
0.872 High Similarity NPC35932
0.872 High Similarity NPC474134
0.872 High Similarity NPC184447
0.872 High Similarity NPC73656
0.872 High Similarity NPC160991
0.872 High Similarity NPC16208
0.872 High Similarity NPC470752
0.872 High Similarity NPC7903
0.872 High Similarity NPC131128
0.8718 High Similarity NPC474214
0.8718 High Similarity NPC474040
0.871 High Similarity NPC91291
0.8707 High Similarity NPC221049
0.8699 High Similarity NPC282703
0.8699 High Similarity NPC474178
0.8699 High Similarity NPC11258
0.8699 High Similarity NPC245826
0.8699 High Similarity NPC184733
0.8699 High Similarity NPC128208
0.8699 High Similarity NPC252307
0.8699 High Similarity NPC45774
0.8699 High Similarity NPC21867
0.8699 High Similarity NPC129570
0.8689 High Similarity NPC28730
0.8689 High Similarity NPC90128
0.8689 High Similarity NPC179777
0.8689 High Similarity NPC127937
0.8689 High Similarity NPC214406
0.8689 High Similarity NPC303680
0.8689 High Similarity NPC44748
0.8689 High Similarity NPC78974
0.8689 High Similarity NPC223136
0.8689 High Similarity NPC92207
0.8689 High Similarity NPC18924
0.8689 High Similarity NPC84076
0.8689 High Similarity NPC274356
0.8689 High Similarity NPC103823
0.8678 High Similarity NPC246704
0.8673 High Similarity NPC137685
0.8667 High Similarity NPC30462
0.8667 High Similarity NPC262253
0.8667 High Similarity NPC71579
0.8667 High Similarity NPC473411
0.8661 High Similarity NPC75440
0.8651 High Similarity NPC229442
0.8651 High Similarity NPC168059
0.8651 High Similarity NPC475840
0.8644 High Similarity NPC474320
0.864 High Similarity NPC309787
0.8629 High Similarity NPC475875
0.8629 High Similarity NPC273295
0.8629 High Similarity NPC470258
0.8629 High Similarity NPC83062
0.8629 High Similarity NPC210623
0.8629 High Similarity NPC190629
0.8629 High Similarity NPC3439
0.8629 High Similarity NPC218856
0.8629 High Similarity NPC285339
0.8629 High Similarity NPC202582
0.8629 High Similarity NPC222004
0.8629 High Similarity NPC226788
0.8618 High Similarity NPC169474
0.8618 High Similarity NPC82679
0.8618 High Similarity NPC276466
0.8618 High Similarity NPC236791
0.8618 High Similarity NPC123228
0.8618 High Similarity NPC118533
0.8618 High Similarity NPC123722
0.8618 High Similarity NPC21563
0.8618 High Similarity NPC282000
0.8618 High Similarity NPC74817
0.8618 High Similarity NPC151167
0.8618 High Similarity NPC106511
0.8618 High Similarity NPC5018
0.8618 High Similarity NPC474119
0.8618 High Similarity NPC165045
0.8618 High Similarity NPC124452
0.8618 High Similarity NPC127587
0.8618 High Similarity NPC159968
0.8618 High Similarity NPC293054
0.8618 High Similarity NPC324112

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC86947 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
0.9099 High Similarity NPD228 Approved
0.8609 High Similarity NPD5283 Phase 1
0.8595 High Similarity NPD4379 Clinical (unspecified phase)
0.8548 High Similarity NPD1529 Clinical (unspecified phase)
0.848 Intermediate Similarity NPD3027 Phase 3
0.8468 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8425 Intermediate Similarity NPD1558 Phase 1
0.8421 Intermediate Similarity NPD3022 Approved
0.8421 Intermediate Similarity NPD3021 Approved
0.8333 Intermediate Similarity NPD2684 Approved
0.8281 Intermediate Similarity NPD1613 Approved
0.8281 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8158 Intermediate Similarity NPD968 Approved
0.8151 Intermediate Similarity NPD6671 Approved
0.8051 Intermediate Similarity NPD7843 Approved
0.8017 Intermediate Similarity NPD5536 Phase 2
0.8 Intermediate Similarity NPD7157 Approved
0.8 Intermediate Similarity NPD4060 Phase 1
0.8 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD3620 Phase 2
0.7969 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7967 Intermediate Similarity NPD6516 Phase 2
0.7967 Intermediate Similarity NPD5846 Approved
0.7953 Intermediate Similarity NPD6584 Phase 3
0.7923 Intermediate Similarity NPD2674 Phase 3
0.7909 Intermediate Similarity NPD2933 Approved
0.7909 Intermediate Similarity NPD2934 Approved
0.7907 Intermediate Similarity NPD7095 Approved
0.7891 Intermediate Similarity NPD2861 Phase 2
0.7886 Intermediate Similarity NPD1357 Approved
0.7838 Intermediate Similarity NPD2859 Approved
0.7838 Intermediate Similarity NPD2860 Approved
0.7805 Intermediate Similarity NPD1548 Phase 1
0.7788 Intermediate Similarity NPD3020 Approved
0.7778 Intermediate Similarity NPD290 Approved
0.775 Intermediate Similarity NPD5535 Approved
0.7748 Intermediate Similarity NPD9296 Approved
0.7717 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7717 Intermediate Similarity NPD6582 Phase 2
0.7717 Intermediate Similarity NPD2982 Phase 2
0.7717 Intermediate Similarity NPD2983 Phase 2
0.7717 Intermediate Similarity NPD6583 Phase 3
0.771 Intermediate Similarity NPD3145 Approved
0.771 Intermediate Similarity NPD3144 Approved
0.7698 Intermediate Similarity NPD1610 Phase 2
0.7664 Intermediate Similarity NPD4162 Approved
0.7638 Intermediate Similarity NPD2231 Phase 2
0.7638 Intermediate Similarity NPD2235 Phase 2
0.7638 Intermediate Similarity NPD2981 Phase 2
0.7615 Intermediate Similarity NPD3018 Phase 2
0.7615 Intermediate Similarity NPD9494 Approved
0.7609 Intermediate Similarity NPD6331 Phase 2
0.7603 Intermediate Similarity NPD821 Approved
0.7559 Intermediate Similarity NPD1535 Discovery
0.7559 Intermediate Similarity NPD3705 Approved
0.7557 Intermediate Similarity NPD4908 Phase 1
0.7536 Intermediate Similarity NPD3060 Approved
0.752 Intermediate Similarity NPD1894 Discontinued
0.752 Intermediate Similarity NPD1182 Approved
0.7519 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4625 Phase 3
0.75 Intermediate Similarity NPD5451 Approved
0.75 Intermediate Similarity NPD1481 Phase 2
0.75 Intermediate Similarity NPD291 Approved
0.75 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD4110 Phase 3
0.7482 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD2801 Approved
0.7463 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD9379 Approved
0.7459 Intermediate Similarity NPD9377 Approved
0.7447 Intermediate Similarity NPD1511 Approved
0.7445 Intermediate Similarity NPD2161 Phase 2
0.7444 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD5718 Phase 2
0.7444 Intermediate Similarity NPD6798 Discontinued
0.7444 Intermediate Similarity NPD5109 Approved
0.7444 Intermediate Similarity NPD5110 Phase 2
0.7444 Intermediate Similarity NPD5111 Phase 2
0.7442 Intermediate Similarity NPD4749 Approved
0.7414 Intermediate Similarity NPD1242 Phase 1
0.7407 Intermediate Similarity NPD6355 Discontinued
0.7407 Intermediate Similarity NPD5735 Approved
0.7402 Intermediate Similarity NPD2107 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD1934 Approved
0.7394 Intermediate Similarity NPD4123 Phase 3
0.7388 Intermediate Similarity NPD4062 Phase 3
0.7388 Intermediate Similarity NPD6233 Phase 2
0.7385 Intermediate Similarity NPD5311 Approved
0.7385 Intermediate Similarity NPD2922 Phase 1
0.7385 Intermediate Similarity NPD5310 Approved
0.7365 Intermediate Similarity NPD3882 Suspended
0.7364 Intermediate Similarity NPD1608 Approved
0.7364 Intermediate Similarity NPD1840 Phase 2
0.736 Intermediate Similarity NPD3596 Phase 2
0.7344 Intermediate Similarity NPD3496 Discontinued
0.7343 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD1512 Approved
0.7338 Intermediate Similarity NPD7153 Discontinued
0.7328 Intermediate Similarity NPD3055 Approved
0.7328 Intermediate Similarity NPD3053 Approved
0.7324 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD5585 Approved
0.7321 Intermediate Similarity NPD9365 Approved
0.7308 Intermediate Similarity NPD5327 Phase 3
0.7305 Intermediate Similarity NPD5241 Discontinued
0.7299 Intermediate Similarity NPD4536 Approved
0.7299 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD4538 Approved
0.7287 Intermediate Similarity NPD422 Phase 1
0.7287 Intermediate Similarity NPD1091 Approved
0.7286 Intermediate Similarity NPD4237 Approved
0.7286 Intermediate Similarity NPD4236 Phase 3
0.7281 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.728 Intermediate Similarity NPD709 Approved
0.7279 Intermediate Similarity NPD4340 Discontinued
0.7273 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD2668 Approved
0.7266 Intermediate Similarity NPD4626 Approved
0.7266 Intermediate Similarity NPD7266 Discontinued
0.7266 Intermediate Similarity NPD2667 Approved
0.7266 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD8651 Approved
0.7246 Intermediate Similarity NPD5588 Approved
0.7246 Intermediate Similarity NPD5960 Phase 3
0.7244 Intermediate Similarity NPD6581 Approved
0.7244 Intermediate Similarity NPD6580 Approved
0.7241 Intermediate Similarity NPD1653 Approved
0.7234 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD2232 Approved
0.7231 Intermediate Similarity NPD2233 Approved
0.7231 Intermediate Similarity NPD2230 Approved
0.723 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD2653 Approved
0.7217 Intermediate Similarity NPD844 Approved
0.7214 Intermediate Similarity NPD7037 Approved
0.7209 Intermediate Similarity NPD3847 Discontinued
0.7206 Intermediate Similarity NPD4140 Approved
0.7197 Intermediate Similarity NPD2797 Approved
0.7197 Intermediate Similarity NPD987 Approved
0.719 Intermediate Similarity NPD1358 Approved
0.7188 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD1651 Approved
0.7176 Intermediate Similarity NPD1669 Approved
0.7174 Intermediate Similarity NPD6896 Approved
0.7174 Intermediate Similarity NPD6895 Approved
0.7164 Intermediate Similarity NPD2614 Approved
0.7163 Intermediate Similarity NPD6674 Discontinued
0.7163 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD5177 Phase 3
0.7154 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD447 Suspended
0.7143 Intermediate Similarity NPD4675 Approved
0.7143 Intermediate Similarity NPD2557 Approved
0.7143 Intermediate Similarity NPD4624 Approved
0.7143 Intermediate Similarity NPD1375 Discontinued
0.7143 Intermediate Similarity NPD4678 Approved
0.7133 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD17 Approved
0.7132 Intermediate Similarity NPD3530 Approved
0.7132 Intermediate Similarity NPD1778 Approved
0.7132 Intermediate Similarity NPD3531 Approved
0.7132 Intermediate Similarity NPD3532 Approved
0.7122 Intermediate Similarity NPD2155 Approved
0.7122 Intermediate Similarity NPD2156 Approved
0.7122 Intermediate Similarity NPD2154 Approved
0.7121 Intermediate Similarity NPD6696 Suspended
0.7121 Intermediate Similarity NPD1283 Approved
0.712 Intermediate Similarity NPD1398 Phase 1
0.712 Intermediate Similarity NPD1241 Discontinued
0.7114 Intermediate Similarity NPD2978 Approved
0.7114 Intermediate Similarity NPD2977 Approved
0.7113 Intermediate Similarity NPD4628 Phase 3
0.7111 Intermediate Similarity NPD5163 Phase 2
0.7107 Intermediate Similarity NPD3134 Approved
0.7101 Intermediate Similarity NPD3052 Approved
0.7101 Intermediate Similarity NPD6353 Approved
0.7101 Intermediate Similarity NPD3054 Approved
0.7101 Intermediate Similarity NPD6653 Approved
0.7099 Intermediate Similarity NPD2337 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD5958 Discontinued
0.7092 Intermediate Similarity NPD4534 Discontinued
0.7091 Intermediate Similarity NPD111 Approved
0.7087 Intermediate Similarity NPD7340 Approved
0.7086 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD7831 Phase 2
0.7086 Intermediate Similarity NPD7833 Phase 2
0.7077 Intermediate Similarity NPD915 Approved
0.7075 Intermediate Similarity NPD3866 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD6032 Approved
0.7068 Intermediate Similarity NPD1819 Approved
0.7068 Intermediate Similarity NPD1820 Approved
0.7068 Intermediate Similarity NPD1817 Approved
0.7068 Intermediate Similarity NPD1818 Approved
0.7063 Intermediate Similarity NPD2677 Approved
0.7059 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD2028 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   159137
ChEMBL   CHEMBL183320
ZINC  

Physicochemical Properties

Molecular Weight:  266.13
ALogP:  1.443
MLogP:  3.22
XLogP:  6.122
# Rotatable Bonds:  7
Polar Surface Area:  29.46
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  20

Download Data

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Biological Activities  
Similar NPs/Drugs