Natural Product: NPC238140

Natural Product ID:  NPC238140
Common Name:   Trifolirhizin
IUPAC Name:  
Synonyms:   Trifolirhizin; Trifolrhizin
Molecular Formula:   C22H22O10
Standard InCHIKey:  VGSYCWGXBYZLLE-QEEQPWONSA-N
Standard InCHI:  InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@@H]2[C@H]3Oc3c2cc2c(c3)OCO2)[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
NPO4051 Tricholoma columbetta Species Tricholomataceae Eukaryota UNPD*
NPO21495 Abelia chinensis Species Caprifoliaceae Eukaryota UNPD*
NPO21631 Faramea salicifolia Species Rubiaceae Eukaryota UNPD*
NPO19036 Esenbeckia leiocarpa Species Rutaceae Eukaryota UNPD*
NPO28072 Theonella conica Species Theonellidae Eukaryota UNPD*
NPO14241 Planchonia grandis Species Asterolecaniidae Eukaryota UNPD*
NPO18866 Pteridium esculentum Species Dennstaedtiaceae Eukaryota UNPD*
NPO20624 Simarouba glauca Species Simaroubaceae Eukaryota UNPD*
NPO17334 Onopordum acanthium Species Asteraceae Eukaryota UNPD*
NPO17849 Centaurea maculosa Species Asteraceae Eukaryota UNPD*
NPO18286 Lycogala epidendrum Species Enteridiidae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO22937 Vernonia fagifolia Species Asteraceae Eukaryota UNPD*
NPO20598 Lythrum salicaria Species Lythraceae Eukaryota UNPD*
NPO19511 Dolabella californica Species Aplysiidae Eukaryota UNPD*
NPO18668 Asimina parviflora Species Annonaceae Eukaryota UNPD*
NPO19912 Vellozia nanuzae Species Velloziaceae Eukaryota UNPD*
NPO28202 Helichrysum tenuifolium Species Asteraceae Eukaryota UNPD*
NPO16141 Piper regnellii Species Piperaceae Eukaryota UNPD*
NPO29704 Pyrrosiae folium NA NA NA TCMSP*
NPO21243 Siphonaria capensis Species Siphonariidae Eukaryota UNPD*
NPO3430 Sophorae flavescentis radix NA NA NA TCMSP*
NPO17560 Pancratium sickenbergeri Species Amaryllidaceae Eukaryota UNPD*
NPO8372 Picrasma quassioides Species Simaroubaceae Eukaryota TM-MC*
NPO9968 Shigella dysenteriae Species Enterobacteriaceae Bacteria UNPD*
NPO19231 Sophora flavescens Species Fabaceae Eukaryota TM-MC*
NPO20680 Erythrina melanacantha Species Fabaceae Eukaryota UNPD*
NPO7715 Sophora tonkinensis Species Fabaceae Eukaryota TM-MC*
NPO18143 Dendronephthya griffini Species Nephtheidae Eukaryota UNPD*
NPO21108 Eria anomala Species Orchidaceae Eukaryota UNPD*
NPO19667 Hypericum styphelioides Species Hypericaceae Eukaryota UNPD*
NPO19810 Myxococcus stipitatus Species Myxococcaceae Bacteria UNPD*
NPO17258 Rhinella marina Species Bufonidae Eukaryota UNPD*
NPO27367 Latrunculia magnifica Species Latrunculiidae Eukaryota UNPD*
NPO21038 Lemaireocereus longispinus Species Cactaceae Eukaryota UNPD*
NPO12313 Haplophyllum obtusifolium Species Rutaceae Eukaryota UNPD*
NPO18473 Plathymenia reticulata Species Fabaceae Eukaryota UNPD*
NPO20471 Sophora alopecuroides Species Fabaceae Eukaryota Root barks Mongolia PMID[26073007]
NPO20489 Epilobium hirsutum Species Onagraceae Eukaryota UNPD*
NPO5903 Conus mus Species Conidae Eukaryota UNPD*
NPO16569 Gymnocalycium schickendantzii Species Cactaceae Eukaryota UNPD*
NPO22961 Cordia leucocephala Species Cordiaceae Eukaryota UNPD*
NPO19231 Sophora flavescens Species Fabaceae Eukaryota UNPD*
NPO20142 Embelia schimperi Species Primulaceae Eukaryota UNPD*
NPO21170 Embelia parviflora Species Primulaceae Eukaryota UNPD*
NPO21562 Diospyros assimilis Species Ebenaceae Eukaryota UNPD*
NPO12056 Chondrodendron tomentosum Species Menispermaceae Eukaryota UNPD*
NPO19995 Baccharis neglecta Species Asteraceae Eukaryota UNPD*
NPO20843 Monsonia senegalensis Species Geraniaceae Eukaryota UNPD*
NPO13449 Syzygium polycephaloides Species Myrtaceae Eukaryota UNPD*
NPO20879 Clerodendrum bungei Species Lamiaceae Eukaryota UNPD*
NPO21375 Euphorbia nematocypha Species Euphorbiaceae Eukaryota UNPD*
NPO20421 Aplophyllum alberti-regelii NA NA NA UNPD*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota UNPD*
NPO3152 Morella rubra Species Myricaceae Eukaryota UNPD*
NPO20084 Atraphaxis spinosa Species Polygonaceae Eukaryota UNPD*
NPO11523 Erysimum leptophyllum Species Brassicaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 EC50 > 300 ug/ml 9868163
NPT2 Others Unspecified IC50 = 237000 nM 18938076
NPT2 Others Unspecified Ki = 190000 nM 18938076
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 50000 nM 26073007

  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 NPC238140 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
0.9384 High Similarity NPC35877
0.9384 High Similarity NPC95392
0.9384 High Similarity NPC55715
0.9375 High Similarity NPC11422
0.9375 High Similarity NPC178014
0.9375 High Similarity NPC474749
0.9375 High Similarity NPC42716
0.9315 High Similarity NPC166584
0.9315 High Similarity NPC301961
0.9315 High Similarity NPC270751
0.931 High Similarity NPC226540
0.931 High Similarity NPC162193
0.9301 High Similarity NPC80326
0.9252 High Similarity NPC240521
0.9252 High Similarity NPC51328
0.9252 High Similarity NPC55158
0.9252 High Similarity NPC286235
0.9231 High Similarity NPC300798
0.9231 High Similarity NPC108674
0.9231 High Similarity NPC58137
0.92 High Similarity NPC159922
0.9184 High Similarity NPC71726
0.9184 High Similarity NPC130449
0.9184 High Similarity NPC248132
0.9184 High Similarity NPC175976
0.9178 High Similarity NPC205796
0.9178 High Similarity NPC125755
0.9178 High Similarity NPC276753
0.9172 High Similarity NPC138227
0.9172 High Similarity NPC469313
0.9172 High Similarity NPC168579
0.9172 High Similarity NPC76176
0.9167 High Similarity NPC174522
0.9167 High Similarity NPC246947
0.9161 High Similarity NPC226547
0.9116 High Similarity NPC227902
0.9116 High Similarity NPC39657
0.911 High Similarity NPC307466
0.911 High Similarity NPC277867
0.911 High Similarity NPC161700
0.9103 High Similarity NPC37793
0.9103 High Similarity NPC252169
0.9103 High Similarity NPC474808
0.9091 High Similarity NPC156376
0.9067 High Similarity NPC302610
0.906 High Similarity NPC472710
0.906 High Similarity NPC472709
0.9048 High Similarity NPC190714
0.9048 High Similarity NPC99515
0.9041 High Similarity NPC217635
0.9041 High Similarity NPC79429
0.9041 High Similarity NPC471063
0.9041 High Similarity NPC471667
0.9034 High Similarity NPC472562
0.9034 High Similarity NPC472353
0.9021 High Similarity NPC185908
0.9021 High Similarity NPC283949
0.9007 High Similarity NPC78809
0.8986 High Similarity NPC15538
0.8986 High Similarity NPC473480
0.898 High Similarity NPC43508
0.898 High Similarity NPC180953
0.898 High Similarity NPC476301
0.898 High Similarity NPC22150
0.898 High Similarity NPC205316
0.898 High Similarity NPC475096
0.898 High Similarity NPC279298
0.898 High Similarity NPC38041
0.8966 High Similarity NPC471908
0.8966 High Similarity NPC469661
0.8958 High Similarity NPC292487
0.8933 High Similarity NPC98624
0.8933 High Similarity NPC475224
0.8926 High Similarity NPC280945
0.8919 High Similarity NPC112861
0.8912 High Similarity NPC472713
0.8912 High Similarity NPC473045
0.8912 High Similarity NPC187774
0.8912 High Similarity NPC25292
0.8912 High Similarity NPC118385
0.8912 High Similarity NPC473046
0.8912 High Similarity NPC472712
0.8904 High Similarity NPC189115
0.8904 High Similarity NPC107161
0.8904 High Similarity NPC475084
0.8904 High Similarity NPC311057
0.8903 High Similarity NPC100936
0.8903 High Similarity NPC1253
0.8897 High Similarity NPC56091
0.8897 High Similarity NPC46591
0.8897 High Similarity NPC27495
0.8881 High Similarity NPC150534
0.8859 High Similarity NPC31325
0.8859 High Similarity NPC114505
0.8859 High Similarity NPC213074
0.8859 High Similarity NPC101376
0.8859 High Similarity NPC15956
0.8859 High Similarity NPC193473
0.8859 High Similarity NPC224674
0.8859 High Similarity NPC275284
0.8851 High Similarity NPC469586
0.8851 High Similarity NPC18979
0.8844 High Similarity NPC81638
0.8844 High Similarity NPC470950
0.8844 High Similarity NPC185307
0.8844 High Similarity NPC477898
0.8844 High Similarity NPC473044
0.8836 High Similarity NPC471389
0.8836 High Similarity NPC311530
0.8836 High Similarity NPC247291
0.8828 High Similarity NPC9068
0.8828 High Similarity NPC471388
0.8819 High Similarity NPC172818
0.8819 High Similarity NPC25695
0.8819 High Similarity NPC104167
0.8816 High Similarity NPC21902
0.8811 High Similarity NPC474478
0.8811 High Similarity NPC476411
0.8792 High Similarity NPC324492
0.8792 High Similarity NPC317053
0.8784 High Similarity NPC93323
0.8784 High Similarity NPC84181
0.8784 High Similarity NPC45257
0.8784 High Similarity NPC283995
0.8784 High Similarity NPC470235
0.8784 High Similarity NPC12641
0.8784 High Similarity NPC280092
0.8784 High Similarity NPC129417
0.8776 High Similarity NPC287124
0.8776 High Similarity NPC5262
0.8776 High Similarity NPC469559
0.8776 High Similarity NPC302506
0.8776 High Similarity NPC472714
0.8776 High Similarity NPC476356
0.8767 High Similarity NPC254759
0.8767 High Similarity NPC160283
0.8767 High Similarity NPC177868
0.8767 High Similarity NPC284464
0.8767 High Similarity NPC309124
0.8767 High Similarity NPC184797
0.8767 High Similarity NPC106944
0.8766 High Similarity NPC164152
0.8759 High Similarity NPC65530
0.8759 High Similarity NPC87777
0.8759 High Similarity NPC262328
0.8759 High Similarity NPC59324
0.875 High Similarity NPC473621
0.875 High Similarity NPC236522
0.875 High Similarity NPC470236
0.8741 High Similarity NPC196937
0.8741 High Similarity NPC136750
0.8741 High Similarity NPC69513
0.8741 High Similarity NPC215833
0.8741 High Similarity NPC266848
0.8741 High Similarity NPC263064
0.8733 High Similarity NPC327412
0.8733 High Similarity NPC16269
0.8733 High Similarity NPC320970
0.8733 High Similarity NPC328567
0.8733 High Similarity NPC320671
0.8733 High Similarity NPC21776
0.8732 High Similarity NPC9912
0.8725 High Similarity NPC475868
0.8718 High Similarity NPC173726
0.8718 High Similarity NPC241600
0.8716 High Similarity NPC477616
0.8716 High Similarity NPC255566
0.8716 High Similarity NPC46092
0.8716 High Similarity NPC185071
0.8716 High Similarity NPC298317
0.8716 High Similarity NPC102044
0.8716 High Similarity NPC85264
0.8716 High Similarity NPC472451
0.8716 High Similarity NPC47633
0.8716 High Similarity NPC12728
0.871 High Similarity NPC189730
0.8707 High Similarity NPC178054
0.8707 High Similarity NPC312199
0.8707 High Similarity NPC210192
0.8707 High Similarity NPC472711
0.8699 High Similarity NPC127218
0.8699 High Similarity NPC473739
0.8699 High Similarity NPC98777
0.8699 High Similarity NPC245207
0.8699 High Similarity NPC236306
0.8699 High Similarity NPC232164
0.8699 High Similarity NPC25966
0.8699 High Similarity NPC292882
0.8699 High Similarity NPC30951
0.8699 High Similarity NPC212770
0.8699 High Similarity NPC319647
0.8699 High Similarity NPC6369
0.8693 High Similarity NPC233467
0.8693 High Similarity NPC215060
0.8693 High Similarity NPC474442
0.8693 High Similarity NPC272552
0.8693 High Similarity NPC59692
0.8693 High Similarity NPC226108
0.8693 High Similarity NPC46283
0.8693 High Similarity NPC322899

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC238140 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
0.8414 Intermediate Similarity NPD1613 Approved
0.8414 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8377 Intermediate Similarity NPD1653 Approved
0.8344 Intermediate Similarity NPD7228 Approved
0.8261 Intermediate Similarity NPD7199 Phase 2
0.8239 Intermediate Similarity NPD4966 Approved
0.8239 Intermediate Similarity NPD4965 Approved
0.8239 Intermediate Similarity NPD4967 Phase 2
0.8212 Intermediate Similarity NPD6674 Discontinued
0.8144 Intermediate Similarity NPD7240 Approved
0.8138 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8137 Intermediate Similarity NPD6234 Discontinued
0.8082 Intermediate Similarity NPD3027 Phase 3
0.8069 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.805 Intermediate Similarity NPD37 Approved
0.8049 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8024 Intermediate Similarity NPD7074 Phase 3
0.8012 Intermediate Similarity NPD3818 Discontinued
0.7964 Intermediate Similarity NPD7054 Approved
0.7945 Intermediate Similarity NPD2861 Phase 2
0.7917 Intermediate Similarity NPD7472 Approved
0.7902 Intermediate Similarity NPD1091 Approved
0.7891 Intermediate Similarity NPD4908 Phase 1
0.7882 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD1610 Phase 2
0.7778 Intermediate Similarity NPD7808 Phase 3
0.7765 Intermediate Similarity NPD6797 Phase 2
0.7758 Intermediate Similarity NPD5494 Approved
0.7744 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD7266 Discontinued
0.7719 Intermediate Similarity NPD7251 Discontinued
0.7669 Intermediate Similarity NPD8455 Phase 2
0.7655 Intermediate Similarity NPD3705 Approved
0.7576 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD6166 Phase 2
0.7574 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD5844 Phase 1
0.7514 Intermediate Similarity NPD6559 Discontinued
0.75 Intermediate Similarity NPD1934 Approved
0.7484 Intermediate Similarity NPD5058 Phase 3
0.7473 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD3018 Phase 2
0.7456 Intermediate Similarity NPD3787 Discontinued
0.7442 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD7680 Approved
0.7405 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD3383 Approved
0.7394 Intermediate Similarity NPD3384 Approved
0.7394 Intermediate Similarity NPD3382 Approved
0.7379 Intermediate Similarity NPD1548 Phase 1
0.7349 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD2801 Approved
0.7345 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD1357 Approved
0.7329 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD4749 Approved
0.7315 Intermediate Similarity NPD2983 Phase 2
0.7315 Intermediate Similarity NPD2982 Phase 2
0.7305 Intermediate Similarity NPD3817 Phase 2
0.7301 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7549 Discontinued
0.7273 Intermediate Similarity NPD5283 Phase 1
0.7261 Intermediate Similarity NPD5588 Approved
0.7257 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD4625 Phase 3
0.7248 Intermediate Similarity NPD2981 Phase 2
0.7246 Intermediate Similarity NPD1465 Phase 2
0.7202 Intermediate Similarity NPD5402 Approved
0.7202 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD1652 Phase 2
0.7184 Intermediate Similarity NPD3751 Discontinued
0.7179 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD5124 Phase 1
0.7178 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD4380 Phase 2
0.7167 Intermediate Similarity NPD6841 Approved
0.7167 Intermediate Similarity NPD6843 Phase 3
0.7167 Intermediate Similarity NPD6842 Approved
0.716 Intermediate Similarity NPD3882 Suspended
0.7152 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3892 Phase 2
0.7134 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7685 Pre-registration
0.7115 Intermediate Similarity NPD4060 Phase 1
0.7108 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD4536 Approved
0.7089 Intermediate Similarity NPD7097 Phase 1
0.7089 Intermediate Similarity NPD4538 Approved
0.7089 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD6355 Discontinued
0.707 Intermediate Similarity NPD5735 Approved
0.7063 Intermediate Similarity NPD5762 Approved
0.7063 Intermediate Similarity NPD5763 Approved
0.7063 Intermediate Similarity NPD1375 Discontinued
0.7055 Intermediate Similarity NPD7157 Approved
0.7052 Intermediate Similarity NPD3051 Approved
0.7047 Intermediate Similarity NPD5125 Phase 3
0.7047 Intermediate Similarity NPD5126 Approved
0.7044 Intermediate Similarity NPD5960 Phase 3
0.7039 Intermediate Similarity NPD8312 Approved
0.7039 Intermediate Similarity NPD8651 Approved
0.7039 Intermediate Similarity NPD8313 Approved
0.7037 Intermediate Similarity NPD7466 Approved
0.7017 Intermediate Similarity NPD4663 Approved
0.7012 Intermediate Similarity NPD1511 Approved
0.7011 Intermediate Similarity NPD2970 Approved
0.7011 Intermediate Similarity NPD2969 Approved
0.7006 Intermediate Similarity NPD3620 Phase 2
0.7006 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3454 Phase 3
0.6994 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6994 Remote Similarity NPD8127 Discontinued
0.6975 Remote Similarity NPD5177 Phase 3
0.6966 Remote Similarity NPD7843 Approved
0.6957 Remote Similarity NPD3540 Phase 1
0.6951 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6948 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6233 Phase 2
0.6941 Remote Similarity NPD2977 Approved
0.6941 Remote Similarity NPD7819 Suspended
0.6941 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6941 Remote Similarity NPD2978 Approved
0.6939 Remote Similarity NPD6671 Approved
0.6937 Remote Similarity NPD4108 Discontinued
0.6933 Remote Similarity NPD6331 Phase 2
0.6933 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4110 Phase 3
0.6928 Remote Similarity NPD1512 Approved
0.6923 Remote Similarity NPD2684 Approved
0.6919 Remote Similarity NPD7075 Discontinued
0.6909 Remote Similarity NPD7213 Phase 3
0.6909 Remote Similarity NPD7212 Phase 2
0.6905 Remote Similarity NPD4005 Discontinued
0.6901 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6894 Remote Similarity NPD3539 Phase 1
0.689 Remote Similarity NPD2677 Approved
0.6886 Remote Similarity NPD5403 Approved
0.6885 Remote Similarity NPD7906 Approved
0.6879 Remote Similarity NPD6798 Discontinued
0.6875 Remote Similarity NPD2489 Approved
0.6875 Remote Similarity NPD27 Approved
0.6871 Remote Similarity NPD4237 Approved
0.6871 Remote Similarity NPD4236 Phase 3
0.6867 Remote Similarity NPD5401 Approved
0.6867 Remote Similarity NPD7447 Phase 1
0.6865 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6864 Remote Similarity NPD7028 Phase 2
0.6864 Remote Similarity NPD4675 Approved
0.6864 Remote Similarity NPD4678 Approved
0.6857 Remote Similarity NPD6232 Discontinued
0.6857 Remote Similarity NPD7229 Phase 3
0.6853 Remote Similarity NPD290 Approved
0.6852 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6852 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6852 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6851 Remote Similarity NPD4578 Approved
0.6851 Remote Similarity NPD4577 Approved
0.6836 Remote Similarity NPD7473 Discontinued
0.6829 Remote Similarity NPD3750 Approved
0.6824 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6821 Remote Similarity NPD5846 Approved
0.6821 Remote Similarity NPD6516 Phase 2
0.6815 Remote Similarity NPD7095 Approved
0.6813 Remote Similarity NPD8053 Approved
0.6813 Remote Similarity NPD8054 Approved
0.681 Remote Similarity NPD1549 Phase 2
0.681 Remote Similarity NPD2424 Discontinued
0.6802 Remote Similarity NPD2563 Approved
0.6802 Remote Similarity NPD2560 Approved
0.68 Remote Similarity NPD6959 Discontinued
0.6792 Remote Similarity NPD4140 Approved
0.679 Remote Similarity NPD6099 Approved
0.679 Remote Similarity NPD2161 Phase 2
0.679 Remote Similarity NPD6100 Approved
0.6788 Remote Similarity NPD6190 Approved
0.6784 Remote Similarity NPD6801 Discontinued
0.6781 Remote Similarity NPD228 Approved
0.677 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6761 Remote Similarity NPD6071 Discontinued
0.676 Remote Similarity NPD8156 Discontinued
0.6758 Remote Similarity NPD7312 Approved
0.6758 Remote Similarity NPD7310 Approved
0.6758 Remote Similarity NPD7313 Approved
0.6758 Remote Similarity NPD7311 Approved
0.6757 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6748 Remote Similarity NPD6002 Phase 3
0.6748 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6748 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6748 Remote Similarity NPD6004 Phase 3
0.6748 Remote Similarity NPD6005 Phase 3
0.6747 Remote Similarity NPD7124 Phase 2
0.6732 Remote Similarity NPD422 Phase 1

Structure

External Identifiers

PubChem CID   442827
ChEMBL   CHEMBL454878
ZINC  

Physicochemical Properties

Molecular Weight:  446.12
ALogP:  -3.163
MLogP:  2.78
XLogP:  0.689
# Rotatable Bonds:  7
Polar Surface Area:  136.3
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# Rings:  6
# Heavy Atoms:  32

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Biological Activities  
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