Natural Product: NPC216752

Natural Product ID:  NPC216752
Common Name:   Nepodin-8-O-Beta-D-Glucopyranoside
IUPAC Name:   1-[1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
Synonyms:  
Molecular Formula:   C19H22O8
Standard InCHIKey:  FZUPKYUANHOYBD-JZXZQAMYSA-N
Standard InCHI:  InChI=1S/C19H22O8/c1-8-6-10-4-3-5-11(14(10)16(23)13(8)9(2)21)26-19-18(25)17(24)15(22)12(7-20)27-19/h3-6,12,15,17-20,22-25H,7H2,1-2H3/t12-,15-,17+,18-,19-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2cccc3c2c(O)c(c(c3)C)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
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
NPO20490 Erythrophleum ivorense Species Fabaceae Eukaryota UNPD*
NPO27737 Penicillium shearii Species Aspergillaceae Eukaryota UNPD*
NPO17856 Anaphalis lactea Species Asteraceae Eukaryota UNPD*
NPO17336 Benincasa hispida Species Cucurbitaceae Eukaryota UNPD*
NPO18144 Metrodorea nigra Species Rutaceae Eukaryota UNPD*
NPO24407 Bipolaris heveae Species Pleosporaceae Eukaryota UNPD*
NPO19671 Dipsacus azureus Species Caprifoliaceae Eukaryota UNPD*
NPO13754 Tanacetum coccineum Species Asteraceae Eukaryota UNPD*
NPO17568 Balanophora laxiflora Species Balanophoraceae Eukaryota UNPD*
NPO10359 Chaiturus marrubiastrum Species Lamiaceae Eukaryota UNPD*
NPO14932.1 Dalbergia lanceolaria subsp. paniculata Subspecies Fabaceae Eukaryota UNPD*
NPO20353 Degenia velebitica Species Brassicaceae Eukaryota UNPD*
NPO20223 Rosa pomifera Species Rosaceae Eukaryota UNPD*
NPO26393.1 Petunia integrifolia subsp. inflata Subspecies Solanaceae Eukaryota UNPD*
NPO21691 Dillenia indica Species Dilleniaceae Eukaryota UNPD*
NPO21376 Lupinus corymbosus Species Fabaceae Eukaryota UNPD*
NPO14800 Oophaga granulifera Species Dendrobatidae Eukaryota UNPD*
NPO20881 Rheum officinale Species Polygonaceae Eukaryota UNPD*
NPO11580 Onobrychis arenaria Species Fabaceae Eukaryota UNPD*
NPO16572 Rhododendron dahuricum Species Ericaceae Eukaryota UNPD*
NPO26917 Quercus rubra Species Fagaceae Eukaryota UNPD*
NPO19232 Anchusa azurea Species Boraginaceae Eukaryota UNPD*
NPO20144 Lespedeza tomentosa Species Fabaceae Eukaryota UNPD*
NPO14248 Mandragora autumnalis Species Solanaceae Eukaryota UNPD*
NPO20560 Polyporus betulinus Species Polyporaceae Eukaryota UNPD*
NPO19512 Gleichenia quadripartita Species Gleicheniaceae Eukaryota UNPD*
NPO19996 Caulerpa peltata Species Caulerpaceae Eukaryota UNPD*
NPO19395 Nepeta granatensis Species Lamiaceae Eukaryota UNPD*
NPO22675 Helichrysum chionosphaerum Species Asteraceae Eukaryota UNPD*
NPO21564 Senecio behnii Species Asteraceae Eukaryota UNPD*
NPO15422 Carduus tenuiflorus Species Asteraceae Eukaryota UNPD*
NPO17018 Salvia greggii Species Lamiaceae Eukaryota UNPD*
NPO21112 Chaetomium carinthiacum Species Chaetomiaceae Eukaryota UNPD*
NPO21244 Delphinium nuttallianum Species Ranunculaceae Eukaryota UNPD*
NPO28769 Albizzia anthelmintica NA NA NA TCMID*
NPO18287 Penicillium bilaiae Species Aspergillaceae Eukaryota UNPD*
NPO16142 Verbascum thapsiforme Species Scrophulariaceae Eukaryota UNPD*
NPO20947 Tagetes filifolia Species Asteraceae Eukaryota UNPD*
NPO2228 Photinia serratifolia Species Rosaceae Eukaryota UNPD*
NPO13454 Amphorogyne spicata Species Amphorogynaceae Eukaryota UNPD*
NPO18867 Stephanitis takeyai Species Tingidae Eukaryota UNPD*
NPO20422 Albizia myriophylla Species Fabaceae Eukaryota UNPD*
NPO12108 Aizopsis selskiana Species Crassulaceae Eukaryota UNPD*
NPO19037 Senecio praecox Species Asteraceae Eukaryota UNPD*
NPO19913 Rhynchophorus ferrugineus Species Curculionidae Eukaryota UNPD*
NPO10216 Leptocereus quadricostatus Species Cactaceae Eukaryota UNPD*
NPO19818 Jacquemontia paniculata Species Convolvulaceae Eukaryota UNPD*
NPO20625 Delphinium virgatum Species Ranunculaceae Eukaryota UNPD*
NPO20753 Grangea maderaspatana Species Asteraceae Eukaryota UNPD*
NPO13246 Pinalia stricta Species Orchidaceae Eukaryota UNPD*
NPO20844 Sphaerella rosigena NA NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 26600 nM 22280816

  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 NPC216752 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
0.9682 High Similarity NPC178851
0.956 High Similarity NPC259905
0.9503 High Similarity NPC85368
0.9383 High Similarity NPC213052
0.9379 High Similarity NPC298778
0.9367 High Similarity NPC101116
0.9367 High Similarity NPC146837
0.9367 High Similarity NPC212099
0.9367 High Similarity NPC278329
0.9321 High Similarity NPC111536
0.9321 High Similarity NPC30432
0.9321 High Similarity NPC5029
0.9321 High Similarity NPC76128
0.9321 High Similarity NPC271385
0.9317 High Similarity NPC473202
0.9273 High Similarity NPC277710
0.9273 High Similarity NPC153578
0.9273 High Similarity NPC299149
0.9273 High Similarity NPC114257
0.9268 High Similarity NPC475246
0.9264 High Similarity NPC203751
0.925 High Similarity NPC178281
0.9207 High Similarity NPC199533
0.9207 High Similarity NPC474345
0.9207 High Similarity NPC68381
0.9207 High Similarity NPC3718
0.9207 High Similarity NPC63105
0.9207 High Similarity NPC470454
0.9198 High Similarity NPC222455
0.9152 High Similarity NPC475233
0.9152 High Similarity NPC102053
0.9152 High Similarity NPC46958
0.9152 High Similarity NPC289876
0.9146 High Similarity NPC199357
0.9146 High Similarity NPC98776
0.9136 High Similarity NPC63470
0.9119 High Similarity NPC328093
0.9114 High Similarity NPC23817
0.9114 High Similarity NPC177742
0.9102 High Similarity NPC477860
0.9102 High Similarity NPC475161
0.9091 High Similarity NPC470667
0.908 High Similarity NPC246274
0.9068 High Similarity NPC17432
0.9057 High Similarity NPC53139
0.9053 High Similarity NPC87583
0.9051 High Similarity NPC283480
0.9051 High Similarity NPC148323
0.9045 High Similarity NPC106625
0.9045 High Similarity NPC185103
0.9042 High Similarity NPC245059
0.9042 High Similarity NPC212290
0.9042 High Similarity NPC84494
0.9042 High Similarity NPC58538
0.9012 High Similarity NPC99216
0.9012 High Similarity NPC7752
0.9006 High Similarity NPC300537
0.9006 High Similarity NPC127782
0.9006 High Similarity NPC44947
0.9006 High Similarity NPC259834
0.9006 High Similarity NPC131745
0.9 High Similarity NPC472320
0.8994 High Similarity NPC206641
0.8994 High Similarity NPC208651
0.8988 High Similarity NPC164047
0.8988 High Similarity NPC470452
0.8988 High Similarity NPC85316
0.8988 High Similarity NPC197357
0.8988 High Similarity NPC470448
0.8988 High Similarity NPC470453
0.8987 High Similarity NPC82190
0.8987 High Similarity NPC174599
0.8987 High Similarity NPC470603
0.8987 High Similarity NPC470604
0.8987 High Similarity NPC192219
0.8987 High Similarity NPC99233
0.8987 High Similarity NPC470605
0.8981 High Similarity NPC259182
0.8981 High Similarity NPC121001
0.8976 High Similarity NPC146803
0.8976 High Similarity NPC186800
0.897 High Similarity NPC315619
0.8951 High Similarity NPC66087
0.8951 High Similarity NPC183672
0.8951 High Similarity NPC278419
0.8951 High Similarity NPC179198
0.8951 High Similarity NPC124155
0.8951 High Similarity NPC257566
0.8944 High Similarity NPC47923
0.8941 High Similarity NPC241847
0.8938 High Similarity NPC73511
0.8938 High Similarity NPC308265
0.8935 High Similarity NPC473631
0.8935 High Similarity NPC293227
0.8935 High Similarity NPC475662
0.8935 High Similarity NPC473717
0.8931 High Similarity NPC206378
0.8931 High Similarity NPC261866
0.8931 High Similarity NPC127406
0.8924 High Similarity NPC205172
0.8924 High Similarity NPC108706
0.8924 High Similarity NPC78021
0.8924 High Similarity NPC209393
0.8924 High Similarity NPC87304
0.8924 High Similarity NPC211158
0.8924 High Similarity NPC268950
0.8917 High Similarity NPC232645
0.8917 High Similarity NPC72958
0.8916 High Similarity NPC472054
0.8909 High Similarity NPC78734
0.8909 High Similarity NPC150767
0.8902 High Similarity NPC298847
0.8902 High Similarity NPC249977
0.8902 High Similarity NPC477502
0.8896 High Similarity NPC478022
0.8896 High Similarity NPC478020
0.8889 High Similarity NPC190450
0.8889 High Similarity NPC187934
0.8889 High Similarity NPC93215
0.8889 High Similarity NPC61594
0.8889 High Similarity NPC105591
0.8889 High Similarity NPC56735
0.8889 High Similarity NPC97637
0.8882 High Similarity NPC224557
0.8882 High Similarity NPC271479
0.8882 High Similarity NPC292706
0.8875 High Similarity NPC313163
0.8875 High Similarity NPC6985
0.8875 High Similarity NPC258035
0.8875 High Similarity NPC156457
0.8875 High Similarity NPC470606
0.8875 High Similarity NPC43638
0.8875 High Similarity NPC161749
0.8875 High Similarity NPC197896
0.8868 High Similarity NPC39351
0.8868 High Similarity NPC3449
0.8868 High Similarity NPC26195
0.8868 High Similarity NPC27408
0.8868 High Similarity NPC95090
0.8868 High Similarity NPC97052
0.8868 High Similarity NPC169248
0.8868 High Similarity NPC72649
0.8862 High Similarity NPC223735
0.8862 High Similarity NPC307754
0.8861 High Similarity NPC87708
0.8861 High Similarity NPC259767
0.8861 High Similarity NPC473967
0.8861 High Similarity NPC88484
0.8855 High Similarity NPC260263
0.8855 High Similarity NPC256760
0.8854 High Similarity NPC325983
0.8848 High Similarity NPC191653
0.8841 High Similarity NPC70441
0.8841 High Similarity NPC178173
0.8841 High Similarity NPC5778
0.8841 High Similarity NPC236934
0.8834 High Similarity NPC243930
0.8834 High Similarity NPC147596
0.8834 High Similarity NPC309025
0.8834 High Similarity NPC19709
0.8834 High Similarity NPC29830
0.8834 High Similarity NPC88023
0.883 High Similarity NPC229817
0.883 High Similarity NPC221140
0.883 High Similarity NPC475352
0.883 High Similarity NPC475220
0.883 High Similarity NPC473686
0.8827 High Similarity NPC303913
0.882 High Similarity NPC470607
0.882 High Similarity NPC85121
0.8812 High Similarity NPC170475
0.8812 High Similarity NPC45165
0.881 High Similarity NPC314489
0.881 High Similarity NPC324220
0.881 High Similarity NPC232818
0.881 High Similarity NPC198893
0.881 High Similarity NPC312630
0.8805 High Similarity NPC470331
0.8805 High Similarity NPC299435
0.8805 High Similarity NPC143851
0.8805 High Similarity NPC210003
0.8805 High Similarity NPC260604
0.8805 High Similarity NPC29763
0.8805 High Similarity NPC39360
0.8805 High Similarity NPC83283
0.8802 High Similarity NPC208668
0.8797 High Similarity NPC190217
0.8795 High Similarity NPC241874
0.8795 High Similarity NPC218488
0.8788 High Similarity NPC474024
0.8788 High Similarity NPC229729
0.8782 High Similarity NPC71055
0.878 High Similarity NPC165720
0.878 High Similarity NPC22832
0.878 High Similarity NPC311830
0.8773 High Similarity NPC125991
0.8773 High Similarity NPC189142
0.8773 High Similarity NPC77660
0.8773 High Similarity NPC473043
0.8765 High Similarity NPC315221

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC216752 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
0.8916 High Similarity NPD6559 Discontinued
0.8875 High Similarity NPD4381 Clinical (unspecified phase)
0.8735 High Similarity NPD7804 Clinical (unspecified phase)
0.8698 High Similarity NPD8312 Approved
0.8698 High Similarity NPD8313 Approved
0.8683 High Similarity NPD7074 Phase 3
0.8623 High Similarity NPD7054 Approved
0.8598 High Similarity NPD6959 Discontinued
0.8571 High Similarity NPD7472 Approved
0.8571 High Similarity NPD2393 Clinical (unspecified phase)
0.8563 High Similarity NPD3818 Discontinued
0.8563 High Similarity NPD7879 Clinical (unspecified phase)
0.8521 High Similarity NPD6797 Phase 2
0.85 High Similarity NPD4380 Phase 2
0.8471 Intermediate Similarity NPD7251 Discontinued
0.8457 Intermediate Similarity NPD7819 Suspended
0.8421 Intermediate Similarity NPD7808 Phase 3
0.8415 Intermediate Similarity NPD7075 Discontinued
0.8395 Intermediate Similarity NPD1934 Approved
0.8323 Intermediate Similarity NPD6232 Discontinued
0.8314 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8294 Intermediate Similarity NPD5844 Phase 1
0.8284 Intermediate Similarity NPD7473 Discontinued
0.8232 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8232 Intermediate Similarity NPD6776 Approved
0.8232 Intermediate Similarity NPD6780 Approved
0.8232 Intermediate Similarity NPD6777 Approved
0.8232 Intermediate Similarity NPD6779 Approved
0.8232 Intermediate Similarity NPD6781 Approved
0.8232 Intermediate Similarity NPD6778 Approved
0.8232 Intermediate Similarity NPD6782 Approved
0.8225 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8225 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8225 Intermediate Similarity NPD6166 Phase 2
0.821 Intermediate Similarity NPD3226 Approved
0.8187 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD6801 Discontinued
0.8098 Intermediate Similarity NPD7435 Discontinued
0.8089 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8089 Intermediate Similarity NPD2346 Discontinued
0.8089 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8085 Intermediate Similarity NPD7783 Phase 2
0.8085 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.8038 Intermediate Similarity NPD1549 Phase 2
0.8034 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8023 Intermediate Similarity NPD3751 Discontinued
0.8012 Intermediate Similarity NPD2801 Approved
0.8 Intermediate Similarity NPD7411 Suspended
0.8 Intermediate Similarity NPD7697 Approved
0.8 Intermediate Similarity NPD7696 Phase 3
0.8 Intermediate Similarity NPD3787 Discontinued
0.8 Intermediate Similarity NPD7698 Approved
0.7988 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7979 Intermediate Similarity NPD8151 Discontinued
0.7964 Intermediate Similarity NPD3817 Phase 2
0.7964 Intermediate Similarity NPD5402 Approved
0.7963 Intermediate Similarity NPD2533 Approved
0.7963 Intermediate Similarity NPD2532 Approved
0.7963 Intermediate Similarity NPD2534 Approved
0.7957 Intermediate Similarity NPD7870 Phase 2
0.7957 Intermediate Similarity NPD7871 Phase 2
0.7956 Intermediate Similarity NPD6535 Approved
0.7956 Intermediate Similarity NPD6534 Approved
0.7946 Intermediate Similarity NPD6823 Phase 2
0.7939 Intermediate Similarity NPD6599 Discontinued
0.7937 Intermediate Similarity NPD4628 Phase 3
0.7926 Intermediate Similarity NPD7701 Phase 2
0.7917 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7907 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7904 Intermediate Similarity NPD8455 Phase 2
0.7901 Intermediate Similarity NPD6213 Phase 3
0.7901 Intermediate Similarity NPD6212 Phase 3
0.7901 Intermediate Similarity NPD1511 Approved
0.7901 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD5494 Approved
0.7866 Intermediate Similarity NPD5403 Approved
0.7853 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7853 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7842 Intermediate Similarity NPD7874 Approved
0.7842 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD7699 Phase 2
0.7826 Intermediate Similarity NPD7700 Phase 2
0.7821 Intermediate Similarity NPD8150 Discontinued
0.7811 Intermediate Similarity NPD3882 Suspended
0.7805 Intermediate Similarity NPD1512 Approved
0.7801 Intermediate Similarity NPD7801 Approved
0.7799 Intermediate Similarity NPD2796 Approved
0.7791 Intermediate Similarity NPD6799 Approved
0.7744 Intermediate Similarity NPD5401 Approved
0.7738 Intermediate Similarity NPD37 Approved
0.7736 Intermediate Similarity NPD1510 Phase 2
0.7733 Intermediate Similarity NPD7199 Phase 2
0.7722 Intermediate Similarity NPD1607 Approved
0.7719 Intermediate Similarity NPD6234 Discontinued
0.7714 Intermediate Similarity NPD7228 Approved
0.7706 Intermediate Similarity NPD4966 Approved
0.7706 Intermediate Similarity NPD4967 Phase 2
0.7706 Intermediate Similarity NPD4965 Approved
0.7706 Intermediate Similarity NPD7768 Phase 2
0.7702 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1465 Phase 2
0.7688 Intermediate Similarity NPD6100 Approved
0.7688 Intermediate Similarity NPD2935 Discontinued
0.7688 Intermediate Similarity NPD1551 Phase 2
0.7688 Intermediate Similarity NPD6099 Approved
0.7683 Intermediate Similarity NPD7390 Discontinued
0.7672 Intermediate Similarity NPD8320 Phase 1
0.7672 Intermediate Similarity NPD8319 Approved
0.7665 Intermediate Similarity NPD7458 Discontinued
0.7661 Intermediate Similarity NPD3749 Approved
0.7654 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD4625 Phase 3
0.7607 Intermediate Similarity NPD3750 Approved
0.7607 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD1240 Approved
0.7592 Intermediate Similarity NPD7584 Approved
0.7584 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD6674 Discontinued
0.7543 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7930 Approved
0.75 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD5711 Approved
0.7486 Intermediate Similarity NPD5710 Approved
0.7473 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD2313 Discontinued
0.7451 Intermediate Similarity NPD1091 Approved
0.745 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD7685 Pre-registration
0.744 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD2800 Approved
0.7439 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD1933 Approved
0.7436 Intermediate Similarity NPD2798 Approved
0.7432 Intermediate Similarity NPD8434 Phase 2
0.7416 Intermediate Similarity NPD7177 Discontinued
0.7407 Intermediate Similarity NPD2799 Discontinued
0.7407 Intermediate Similarity NPD7033 Discontinued
0.7396 Intermediate Similarity NPD1653 Approved
0.7365 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD5408 Approved
0.7362 Intermediate Similarity NPD5404 Approved
0.7362 Intermediate Similarity NPD5405 Approved
0.7362 Intermediate Similarity NPD5406 Approved
0.7358 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD7240 Approved
0.7342 Intermediate Similarity NPD6832 Phase 2
0.7338 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD1201 Approved
0.7337 Intermediate Similarity NPD920 Approved
0.7321 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD2344 Approved
0.7314 Intermediate Similarity NPD919 Approved
0.7308 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD3748 Approved
0.7293 Intermediate Similarity NPD5953 Discontinued
0.7277 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD7999 Approved
0.7268 Intermediate Similarity NPD8059 Phase 3
0.7268 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD1613 Approved
0.7267 Intermediate Similarity NPD4060 Phase 1
0.7267 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD1203 Approved
0.7261 Intermediate Similarity NPD1470 Approved
0.7256 Intermediate Similarity NPD2438 Suspended
0.725 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD3268 Approved
0.725 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7247 Intermediate Similarity NPD3926 Phase 2
0.7232 Intermediate Similarity NPD1247 Approved
0.7229 Intermediate Similarity NPD1243 Approved
0.7225 Intermediate Similarity NPD8285 Discontinued
0.7222 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD447 Suspended
0.7219 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD7266 Discontinued
0.7211 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD4363 Phase 3
0.7196 Intermediate Similarity NPD4360 Phase 2
0.7195 Intermediate Similarity NPD4308 Phase 3
0.7194 Intermediate Similarity NPD7585 Approved
0.7191 Intermediate Similarity NPD7229 Phase 3
0.7186 Intermediate Similarity NPD7003 Approved
0.7182 Intermediate Similarity NPD7286 Phase 2
0.7179 Intermediate Similarity NPD1608 Approved
0.7178 Intermediate Similarity NPD6651 Approved
0.7176 Intermediate Similarity NPD6273 Approved
0.7152 Intermediate Similarity NPD2797 Approved
0.7143 Intermediate Similarity NPD7583 Approved
0.7143 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2309 Approved
0.7143 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD411 Approved
0.7126 Intermediate Similarity NPD6844 Discontinued
0.7108 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD5762 Approved
0.7108 Intermediate Similarity NPD5763 Approved

Structure

External Identifiers

PubChem CID   5319972
ChEMBL   CHEMBL2204399
ZINC  

Physicochemical Properties

Molecular Weight:  378.13
ALogP:  -2.2794
MLogP:  2.67
XLogP:  1.47
# Rotatable Bonds:  11
Polar Surface Area:  136.68
# H-Bond Aceptor:  6
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  27

Download Data

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Biological Activities  
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