Natural Product: NPC41331

Natural Product ID:  NPC41331
Common Name:   Brachystamide B
IUPAC Name:   (2E,4E,14E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,14-trienamide
Synonyms:  
Molecular Formula:   C26H37NO3
Standard InCHIKey:  DRMOIHOBUYFDKF-HMZUNPFJSA-N
Standard InCHI:  InChI=1S/C26H37NO3/c1-22(2)20-27-26(28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-23-17-18-24-25(19-23)30-21-29-24/h10,12-19,22H,3-9,11,20-21H2,1-2H3,(H,27,28)/b12-10+,15-13+,16-14+
Canonical SMILES:  CC(CN=C(/C=C/C=C/CCCCCCCC/C=C/c1ccc2c(c1)OCO2)O)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
NPO9950 Coelogyne nitida Species Orchidaceae Eukaryota UNPD*
NPO6648 Piper retrofractum Species Piperaceae Eukaryota UNPD*
NPO6880 Crocus corsicus Species Iridaceae Eukaryota UNPD*
NPO3968 Dracontium loretense Species Araceae Eukaryota UNPD*
NPO2846 Piper sarmentosum Species Piperaceae Eukaryota UNPD*
NPO230 Palisota barteri Species Commelinaceae Eukaryota UNPD*
NPO6544 Carpesium longifolium Species Asteraceae Eukaryota UNPD*
NPO9166 Monascus rubropunctatus Species Fellodistomidae Eukaryota UNPD*
NPO5657 Oocystis polymorpha Species Oocystaceae Eukaryota UNPD*
NPO6614 Rubus pileatus Species Rosaceae Eukaryota UNPD*
NPO2393 Matsumurella chinensis Species Lamiaceae Eukaryota UNPD*
NPO10459 Brickellia longifolia Species Asteraceae Eukaryota UNPD*
NPO23642 Penicillium tardum Species Aspergillaceae Eukaryota UNPD*
NPO4251 Photorhabdus luminescens Species Morganellaceae Bacteria UNPD*
NPO4720 Aglaia perviridis Species Meliaceae Eukaryota UNPD*
NPO26237 Piper longum Species Piperaceae Eukaryota TM-MC*
NPO1912 Acanthosyris paulo-alvinii Species Cervantesiaceae Eukaryota UNPD*
NPO61 Phoebe grandis Species Lauraceae Eukaryota UNPD*
NPO8639 Agaricus xanthodermus Species Agaricaceae Eukaryota UNPD*
NPO27487 Silene banksia Species Caryophyllaceae Eukaryota UNPD*
NPO13059 Abies webbiana Species Pinaceae Eukaryota UNPD*
NPO992 Betula alnoides Species Betulaceae Eukaryota UNPD*
NPO10274 Pothomorphe peltata NA NA NA UNPD*
NPO10666 Verbesina virginica Species Asteraceae Eukaryota UNPD*
NPO7536 Mycoplasma mycoides Species Mycoplasmataceae Bacteria UNPD*
NPO6428 Euphorbia wangii Species Euphorbiaceae Eukaryota UNPD*
NPO12383 Frullania brasiliensis Species Frullaniaceae Eukaryota UNPD*
NPO7158 Schefflera venulosa Species Araliaceae Eukaryota UNPD*
NPO43 Leifsonia aquatica Species Microbacteriaceae Bacteria UNPD*
NPO12488 Bupleurum rigidum Species Apiaceae Eukaryota UNPD*
NPO11137 Dichotomanthes tristaniicarpa Species Rosaceae Eukaryota UNPD*
NPO12125 Pseudomonas stutzeri Species Pseudomonadaceae Bacteria UNPD*
NPO11511 Cochlearia officinalis Species Brassicaceae Eukaryota UNPD*
NPO2840 Podocarpus minor Species Podocarpaceae Eukaryota UNPD*
NPO3803 Ardisia japonica Species Primulaceae Eukaryota UNPD*
NPO964 Homalium laurifolium Species Salicaceae Eukaryota UNPD*
NPO876 Didymosphaeria enalia Species Didymosphaeriaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 22 % 18289853
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 11 % 18289853
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = -6 % 18289853
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 11.1 % 18477507
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 18.5 % 18477507
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 16.8 % 18477507
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 13.7 % 18477507
NPT1460 Cell Line L929 Mus musculus Inhibition = -15 % 19775895
NPT1460 Cell Line L929 Mus musculus Inhibition = -11 % 19775895
NPT1460 Cell Line L929 Mus musculus Inhibition = 1 % 19775895
NPT1460 Cell Line L929 Mus musculus Inhibition = 4 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = -6 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 11 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 18 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 22 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = -22 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = -17 % 19775895
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 10 % 19775895
NPT115 Organism Mycobacterium tuberculosis H37Ra Mycobacterium tuberculosis H37Ra MIC = 50 ug/ml 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 NPC41331 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
1.0 High Similarity NPC291449
0.9917 High Similarity NPC156944
0.9835 High Similarity NPC157740
0.9835 High Similarity NPC99798
0.9833 High Similarity NPC207541
0.9833 High Similarity NPC152186
0.9833 High Similarity NPC182147
0.9833 High Similarity NPC246133
0.9833 High Similarity NPC71105
0.9833 High Similarity NPC170583
0.9754 High Similarity NPC147247
0.9754 High Similarity NPC246974
0.9752 High Similarity NPC251466
0.975 High Similarity NPC300955
0.9512 High Similarity NPC191302
0.9206 High Similarity NPC470706
0.9127 High Similarity NPC469977
0.907 High Similarity NPC282477
0.907 High Similarity NPC284855
0.907 High Similarity NPC473463
0.8672 High Similarity NPC301713
0.8667 High Similarity NPC275150
0.8605 High Similarity NPC153990
0.8583 High Similarity NPC166837
0.8582 High Similarity NPC254610
0.8551 High Similarity NPC327623
0.8538 High Similarity NPC155838
0.8473 Intermediate Similarity NPC195749
0.8473 Intermediate Similarity NPC52029
0.8473 Intermediate Similarity NPC35961
0.8462 Intermediate Similarity NPC186898
0.8438 Intermediate Similarity NPC249788
0.8417 Intermediate Similarity NPC127326
0.8347 Intermediate Similarity NPC31279
0.8346 Intermediate Similarity NPC214869
0.8322 Intermediate Similarity NPC474560
0.8321 Intermediate Similarity NPC251571
0.8284 Intermediate Similarity NPC6854
0.8284 Intermediate Similarity NPC313737
0.8284 Intermediate Similarity NPC285078
0.8271 Intermediate Similarity NPC255550
0.8271 Intermediate Similarity NPC114102
0.8271 Intermediate Similarity NPC308885
0.8268 Intermediate Similarity NPC344161
0.8244 Intermediate Similarity NPC274356
0.8222 Intermediate Similarity NPC218530
0.8209 Intermediate Similarity NPC93882
0.8209 Intermediate Similarity NPC130595
0.8188 Intermediate Similarity NPC77572
0.814 Intermediate Similarity NPC301641
0.814 Intermediate Similarity NPC80241
0.8074 Intermediate Similarity NPC476345
0.8047 Intermediate Similarity NPC57501
0.8047 Intermediate Similarity NPC69670
0.8043 Intermediate Similarity NPC160607
0.8043 Intermediate Similarity NPC312770
0.8043 Intermediate Similarity NPC204848
0.8043 Intermediate Similarity NPC14600
0.8043 Intermediate Similarity NPC41473
0.8016 Intermediate Similarity NPC303370
0.8 Intermediate Similarity NPC275950
0.8 Intermediate Similarity NPC114845
0.7986 Intermediate Similarity NPC299583
0.7986 Intermediate Similarity NPC296898
0.797 Intermediate Similarity NPC40352
0.797 Intermediate Similarity NPC213711
0.7951 Intermediate Similarity NPC227894
0.7941 Intermediate Similarity NPC318862
0.7923 Intermediate Similarity NPC183262
0.792 Intermediate Similarity NPC165646
0.7914 Intermediate Similarity NPC220923
0.7914 Intermediate Similarity NPC470707
0.7907 Intermediate Similarity NPC119949
0.7903 Intermediate Similarity NPC137685
0.7899 Intermediate Similarity NPC96406
0.7895 Intermediate Similarity NPC17348
0.7891 Intermediate Similarity NPC212643
0.7891 Intermediate Similarity NPC33271
0.7891 Intermediate Similarity NPC199209
0.7883 Intermediate Similarity NPC219671
0.7883 Intermediate Similarity NPC471505
0.7883 Intermediate Similarity NPC227002
0.7883 Intermediate Similarity NPC106739
0.7883 Intermediate Similarity NPC259742
0.7883 Intermediate Similarity NPC147616
0.7883 Intermediate Similarity NPC104077
0.7872 Intermediate Similarity NPC195814
0.7868 Intermediate Similarity NPC173308
0.7868 Intermediate Similarity NPC63574
0.7868 Intermediate Similarity NPC181079
0.7851 Intermediate Similarity NPC292792
0.7846 Intermediate Similarity NPC289330
0.7846 Intermediate Similarity NPC471308
0.7846 Intermediate Similarity NPC17388
0.7846 Intermediate Similarity NPC263835
0.7846 Intermediate Similarity NPC53596
0.7846 Intermediate Similarity NPC160120
0.7842 Intermediate Similarity NPC99078
0.7842 Intermediate Similarity NPC137172
0.7842 Intermediate Similarity NPC145446
0.784 Intermediate Similarity NPC8547
0.784 Intermediate Similarity NPC55300
0.784 Intermediate Similarity NPC156840
0.784 Intermediate Similarity NPC173746
0.784 Intermediate Similarity NPC257124
0.7833 Intermediate Similarity NPC310905
0.7833 Intermediate Similarity NPC12714
0.7826 Intermediate Similarity NPC103947
0.7826 Intermediate Similarity NPC94280
0.7826 Intermediate Similarity NPC159150
0.7826 Intermediate Similarity NPC193673
0.7826 Intermediate Similarity NPC328419
0.7826 Intermediate Similarity NPC45783
0.7826 Intermediate Similarity NPC169973
0.7823 Intermediate Similarity NPC246358
0.7823 Intermediate Similarity NPC36108
0.7823 Intermediate Similarity NPC7097
0.7823 Intermediate Similarity NPC233731
0.7817 Intermediate Similarity NPC100478
0.7817 Intermediate Similarity NPC222039
0.7812 Intermediate Similarity NPC111225
0.7803 Intermediate Similarity NPC256167
0.7794 Intermediate Similarity NPC470633
0.7794 Intermediate Similarity NPC228769
0.7786 Intermediate Similarity NPC194359
0.7786 Intermediate Similarity NPC95366
0.7786 Intermediate Similarity NPC83279
0.7786 Intermediate Similarity NPC252107
0.7786 Intermediate Similarity NPC28641
0.7786 Intermediate Similarity NPC225745
0.7786 Intermediate Similarity NPC248505
0.7778 Intermediate Similarity NPC5462
0.7778 Intermediate Similarity NPC64948
0.7778 Intermediate Similarity NPC177167
0.7778 Intermediate Similarity NPC158737
0.777 Intermediate Similarity NPC180647
0.777 Intermediate Similarity NPC255817
0.777 Intermediate Similarity NPC205178
0.777 Intermediate Similarity NPC136330
0.777 Intermediate Similarity NPC230698
0.777 Intermediate Similarity NPC196609
0.777 Intermediate Similarity NPC73883
0.777 Intermediate Similarity NPC277042
0.777 Intermediate Similarity NPC251454
0.7769 Intermediate Similarity NPC281298
0.7769 Intermediate Similarity NPC43275
0.7769 Intermediate Similarity NPC310338
0.7769 Intermediate Similarity NPC256369
0.7754 Intermediate Similarity NPC97316
0.7752 Intermediate Similarity NPC120075
0.7752 Intermediate Similarity NPC164386
0.7744 Intermediate Similarity NPC31344
0.7744 Intermediate Similarity NPC13020
0.7744 Intermediate Similarity NPC317769
0.7744 Intermediate Similarity NPC140359
0.7737 Intermediate Similarity NPC184814
0.7737 Intermediate Similarity NPC171550
0.7737 Intermediate Similarity NPC134764
0.7721 Intermediate Similarity NPC226862
0.7721 Intermediate Similarity NPC158471
0.7721 Intermediate Similarity NPC57119
0.7721 Intermediate Similarity NPC165128
0.7717 Intermediate Similarity NPC165106
0.7714 Intermediate Similarity NPC174191
0.7714 Intermediate Similarity NPC101624
0.7714 Intermediate Similarity NPC142547
0.7714 Intermediate Similarity NPC135777
0.7714 Intermediate Similarity NPC184938
0.771 Intermediate Similarity NPC242885
0.771 Intermediate Similarity NPC117780
0.771 Intermediate Similarity NPC165133
0.771 Intermediate Similarity NPC232316
0.771 Intermediate Similarity NPC227217
0.771 Intermediate Similarity NPC56214
0.771 Intermediate Similarity NPC95614
0.7704 Intermediate Similarity NPC473960
0.7698 Intermediate Similarity NPC196937
0.7698 Intermediate Similarity NPC167096
0.7698 Intermediate Similarity NPC471390
0.7698 Intermediate Similarity NPC78918
0.7698 Intermediate Similarity NPC471391
0.7698 Intermediate Similarity NPC139617
0.7692 Intermediate Similarity NPC470626
0.7692 Intermediate Similarity NPC474040
0.7681 Intermediate Similarity NPC477706
0.7681 Intermediate Similarity NPC217574
0.7674 Intermediate Similarity NPC258992
0.7674 Intermediate Similarity NPC9341
0.7674 Intermediate Similarity NPC81067
0.7669 Intermediate Similarity NPC298486
0.7664 Intermediate Similarity NPC476748
0.7661 Intermediate Similarity NPC258171
0.766 Intermediate Similarity NPC193528
0.7656 Intermediate Similarity NPC294941
0.7647 Intermediate Similarity NPC100129
0.7643 Intermediate Similarity NPC264956
0.7643 Intermediate Similarity NPC470881
0.7634 Intermediate Similarity NPC474320
0.7634 Intermediate Similarity NPC311595
0.7634 Intermediate Similarity NPC24474

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC41331 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
0.8333 Intermediate Similarity NPD1357 Approved
0.8271 Intermediate Similarity NPD3145 Approved
0.8271 Intermediate Similarity NPD3144 Approved
0.8209 Intermediate Similarity NPD2674 Phase 3
0.7986 Intermediate Similarity NPD2161 Phase 2
0.7941 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7863 Intermediate Similarity NPD3705 Approved
0.7852 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD228 Approved
0.782 Intermediate Similarity NPD2922 Phase 1
0.781 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7801 Intermediate Similarity NPD1375 Discontinued
0.7793 Intermediate Similarity NPD4739 Approved
0.7786 Intermediate Similarity NPD4108 Discontinued
0.7785 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD2492 Phase 1
0.7762 Intermediate Similarity NPD6331 Phase 2
0.7746 Intermediate Similarity NPD7153 Discontinued
0.7717 Intermediate Similarity NPD5283 Phase 1
0.7612 Intermediate Similarity NPD3685 Discontinued
0.7612 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7612 Intermediate Similarity NPD1669 Approved
0.7609 Intermediate Similarity NPD5109 Approved
0.7609 Intermediate Similarity NPD5110 Phase 2
0.7609 Intermediate Similarity NPD5111 Phase 2
0.7594 Intermediate Similarity NPD776 Approved
0.7591 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD5604 Discontinued
0.7518 Intermediate Similarity NPD2157 Approved
0.7518 Intermediate Similarity NPD1712 Approved
0.7517 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7526 Approved
0.75 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD52 Approved
0.7482 Intermediate Similarity NPD5718 Phase 2
0.7462 Intermediate Similarity NPD709 Approved
0.7415 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD5773 Approved
0.7386 Intermediate Similarity NPD2978 Approved
0.7386 Intermediate Similarity NPD2977 Approved
0.7386 Intermediate Similarity NPD5772 Approved
0.7364 Intermediate Similarity NPD821 Approved
0.7355 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD2219 Phase 1
0.7343 Intermediate Similarity NPD6896 Approved
0.7343 Intermediate Similarity NPD6895 Approved
0.7329 Intermediate Similarity NPD4236 Phase 3
0.7329 Intermediate Similarity NPD4237 Approved
0.7315 Intermediate Similarity NPD4123 Phase 3
0.7313 Intermediate Similarity NPD2668 Approved
0.7313 Intermediate Similarity NPD2667 Approved
0.7279 Intermediate Similarity NPD2232 Approved
0.7279 Intermediate Similarity NPD2230 Approved
0.7279 Intermediate Similarity NPD2233 Approved
0.7273 Intermediate Similarity NPD2653 Approved
0.7267 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD1558 Phase 1
0.7248 Intermediate Similarity NPD4357 Discontinued
0.7226 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6111 Discontinued
0.7219 Intermediate Similarity NPD2122 Discontinued
0.7218 Intermediate Similarity NPD5536 Phase 2
0.7211 Intermediate Similarity NPD3060 Approved
0.7194 Intermediate Similarity NPD6584 Phase 3
0.7188 Intermediate Similarity NPD2684 Approved
0.7172 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD1772 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1044 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4993 Discontinued
0.7143 Intermediate Similarity NPD2040 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD5241 Discontinued
0.7099 Intermediate Similarity NPD7843 Approved
0.7095 Intermediate Similarity NPD5177 Phase 3
0.7095 Intermediate Similarity NPD4162 Approved
0.7086 Intermediate Similarity NPD1771 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7243 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD4678 Approved
0.7078 Intermediate Similarity NPD4675 Approved
0.7068 Intermediate Similarity NPD7157 Approved
0.7063 Intermediate Similarity NPD839 Approved
0.7063 Intermediate Similarity NPD840 Approved
0.7047 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD4110 Phase 3
0.7042 Intermediate Similarity NPD3027 Phase 3
0.7042 Intermediate Similarity NPD1024 Discontinued
0.7034 Intermediate Similarity NPD4097 Suspended
0.7029 Intermediate Similarity NPD2235 Phase 2
0.7029 Intermediate Similarity NPD2231 Phase 2
0.7027 Intermediate Similarity NPD2808 Discontinued
0.7027 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD3620 Phase 2
0.7013 Intermediate Similarity NPD4005 Discontinued
0.7006 Intermediate Similarity NPD2358 Clinical (unspecified phase)
0.6993 Remote Similarity NPD1048 Approved
0.6978 Remote Similarity NPD2983 Phase 2
0.6978 Remote Similarity NPD6582 Phase 2
0.6978 Remote Similarity NPD6583 Phase 3
0.6978 Remote Similarity NPD2982 Phase 2
0.6959 Remote Similarity NPD3656 Approved
0.6954 Remote Similarity NPD7124 Phase 2
0.6948 Remote Similarity NPD3687 Approved
0.6948 Remote Similarity NPD3686 Approved
0.6948 Remote Similarity NPD4210 Discontinued
0.6944 Remote Similarity NPD1423 Approved
0.6934 Remote Similarity NPD4626 Approved
0.6923 Remote Similarity NPD5089 Approved
0.6923 Remote Similarity NPD3164 Approved
0.6923 Remote Similarity NPD5090 Approved
0.6923 Remote Similarity NPD3165 Approved
0.6923 Remote Similarity NPD3167 Approved
0.6923 Remote Similarity NPD3166 Approved
0.6918 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6913 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6906 Remote Similarity NPD2337 Clinical (unspecified phase)
0.6906 Remote Similarity NPD2981 Phase 2
0.6903 Remote Similarity NPD3111 Phase 1
0.6899 Remote Similarity NPD3134 Approved
0.6897 Remote Similarity NPD2238 Phase 2
0.6889 Remote Similarity NPD3596 Phase 2
0.6879 Remote Similarity NPD1820 Approved
0.6879 Remote Similarity NPD5722 Discontinued
0.6879 Remote Similarity NPD1819 Approved
0.6879 Remote Similarity NPD1817 Approved
0.6879 Remote Similarity NPD1818 Approved
0.6875 Remote Similarity NPD1039 Discontinued
0.6871 Remote Similarity NPD7119 Phase 2
0.687 Remote Similarity NPD3022 Approved
0.687 Remote Similarity NPD3021 Approved
0.687 Remote Similarity NPD556 Approved
0.6861 Remote Similarity NPD6830 Clinical (unspecified phase)
0.6859 Remote Similarity NPD1642 Discontinued
0.6859 Remote Similarity NPD7028 Phase 2
0.6846 Remote Similarity NPD1358 Approved
0.6842 Remote Similarity NPD9379 Approved
0.6842 Remote Similarity NPD9377 Approved
0.6828 Remote Similarity NPD7477 Discontinued
0.6828 Remote Similarity NPD3058 Clinical (unspecified phase)
0.6815 Remote Similarity NPD6387 Discontinued
0.6815 Remote Similarity NPD6671 Approved
0.6813 Remote Similarity NPD7831 Phase 2
0.6813 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6813 Remote Similarity NPD4055 Discovery
0.6813 Remote Similarity NPD7833 Phase 2
0.6812 Remote Similarity NPD2423 Clinical (unspecified phase)
0.681 Remote Similarity NPD4083 Discontinued
0.6809 Remote Similarity NPD7258 Clinical (unspecified phase)
0.68 Remote Similarity NPD7037 Approved
0.6797 Remote Similarity NPD5297 Approved
0.6792 Remote Similarity NPD2560 Approved
0.6792 Remote Similarity NPD2563 Approved
0.6788 Remote Similarity NPD1182 Approved
0.6788 Remote Similarity NPD6580 Approved
0.6788 Remote Similarity NPD6581 Approved
0.6783 Remote Similarity NPD9494 Approved
0.6783 Remote Similarity NPD3018 Phase 2
0.6783 Remote Similarity NPD2250 Discontinued
0.6774 Remote Similarity NPD9296 Approved
0.6772 Remote Similarity NPD37 Approved
0.6769 Remote Similarity NPD1444 Approved
0.6769 Remote Similarity NPD1445 Approved
0.6763 Remote Similarity NPD3847 Discontinued
0.6755 Remote Similarity NPD6674 Discontinued
0.6753 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6753 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6753 Remote Similarity NPD3146 Approved
0.6746 Remote Similarity NPD7281 Phase 3
0.6746 Remote Similarity NPD7280 Phase 3
0.6744 Remote Similarity NPD3408 Clinical (unspecified phase)
0.6738 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6735 Remote Similarity NPD3657 Discovery
0.6732 Remote Similarity NPD5756 Phase 2
0.673 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6728 Remote Similarity NPD7201 Clinical (unspecified phase)
0.6728 Remote Similarity NPD2644 Approved
0.6727 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6716 Remote Similarity NPD1138 Approved
0.6713 Remote Similarity NPD7905 Discontinued
0.6713 Remote Similarity NPD558 Phase 2
0.6712 Remote Similarity NPD3531 Approved
0.6712 Remote Similarity NPD3163 Approved
0.6712 Remote Similarity NPD3530 Approved
0.6712 Remote Similarity NPD3162 Approved
0.6712 Remote Similarity NPD3532 Approved
0.671 Remote Similarity NPD6390 Discontinued
0.671 Remote Similarity NPD1349 Approved
0.671 Remote Similarity NPD3647 Clinical (unspecified phase)
0.671 Remote Similarity NPD1350 Approved
0.671 Remote Similarity NPD1351 Approved
0.6709 Remote Similarity NPD4773 Phase 2
0.6709 Remote Similarity NPD4772 Phase 2
0.6709 Remote Similarity NPD6873 Phase 2
0.6706 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6692 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6691 Remote Similarity NPD2557 Approved

Structure

External Identifiers

PubChem CID   10047263
ChEMBL   CHEMBL271448
ZINC  

Physicochemical Properties

Molecular Weight:  411.28
ALogP:  0.0559
MLogP:  3.88
XLogP:  8.831
# Rotatable Bonds:  17
Polar Surface Area:  51.05
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  30

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