Natural Product: NPC299706

Natural Product ID:  NPC299706
Common Name:   Matairesinoside
IUPAC Name:   (3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
Synonyms:   Matairesinoside
Molecular Formula:   C26H32O11
Standard InCHIKey:  AAGCATAPYOEULE-LHHMAMHXSA-N
Standard InCHI:  InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C[C@H]2C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)O)[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
NPO850 Metatrichia vesparium Species Trichiidae Eukaryota UNPD*
NPO16601 Styrax perkinsiae Species Styracaceae Eukaryota bark PMID[26762060]
NPO7601 Centaurea cana Species Asteraceae Eukaryota UNPD*
NPO19805 Forsythia viridissima Species Oleaceae Eukaryota Flowers PMID[15481244]
NPO20266 Plectocephalus americanus Species Asteraceae Eukaryota Seeds PMID[16996096]
NPO22375 Saussurea salicifolia Species Asteraceae Eukaryota Aerial parts PMID[18057725]
NPO2689 Symplocos caudata Species Symplocaceae Eukaryota Root PMID[17905350]
NPO30866 Styrax japonica Species Styracaceae Eukaryota bark PMID[15577246]
NPO31354 Cupressus duclouxiana Species Cupressaceae Eukaryota branch PMID[16753802]
NPO31354 Cupressus duclouxiana Species Cupressaceae Eukaryota Leaves PMID[16753802]
NPO9064 Cirsium arvense Species Asteraceae Eukaryota fruit PMID[22396124]
NPO2011 Decaisnea fargesii Species Lardizabalaceae Eukaryota UNPD*
NPO8175 Acacia kempeana Species Fabaceae Eukaryota UNPD*
NPO5985 Klebsiella pneumoniae Species Enterobacteriaceae Bacteria UNPD*
NPO6381 Dendrobium crepidatum Species Orchidaceae Eukaryota UNPD*
NPO4096 Acanthias vulgaris NA NA NA UNPD*
NPO8312 Polygonatum stenophyllum Species Asparagaceae Eukaryota UNPD*
NPO10398 Myrica gale Species Myricaceae Eukaryota UNPD*
NPO5039 Cryptomonas ovata Species Cryptomonadaceae Eukaryota UNPD*
NPO22995 Oophaga histrionica Species Dendrobatidae Eukaryota UNPD*
NPO26373.1 Microbispora rosea subsp. aerata Subspecies Streptosporangiaceae Bacteria UNPD*
NPO3672 Montanoa guatemalensis Species Asteraceae Eukaryota UNPD*
NPO19459 Dictyota kunthii Species Dictyotaceae Eukaryota UNPD*
NPO6760 Saussurea conica Species Asteraceae Eukaryota UNPD*
NPO8476 Teucrium lanigerum Species Lamiaceae Eukaryota UNPD*
NPO30753 Symplocos setchuensis Species Symplocaceae Eukaryota Stems PMID[11473435]
NPO3944 Senecio variabilis Species Asteraceae Eukaryota UNPD*
NPO12339 Daphne feddei Species Thymelaeaceae Eukaryota Stem barks Kunming, Yunnan Province, China PMID[18986199]
NPO4644 Pteris pacifica Species Pteridaceae Eukaryota UNPD*
NPO2218 Aframomum sulcatum Species Zingiberaceae Eukaryota UNPD*
NPO683 Rosa canina Species Rosaceae Eukaryota UNPD*
NPO7267 Glycosmis chlorosperma Species Rutaceae Eukaryota UNPD*
NPO2366 Diospyros buxifolia Species Ebenaceae Eukaryota UNPD*
NPO4271 Dendrobium thyrsiflorum Species Orchidaceae Eukaryota UNPD*
NPO6979 Baillonella toxisperma Species Sapotaceae Eukaryota UNPD*
NPO8340 Stachys sylvatica Species Lamiaceae Eukaryota UNPD*
NPO1766 Hymenaea courbaril Species Fabaceae Eukaryota UNPD*
NPO720 Badilloa salicina NA NA NA UNPD*
NPO29584 Forsythiae fructus NA NA NA TCMSP*
NPO6779 Sutherlandia frutescens Species Fabaceae Eukaryota UNPD*
NPO4931 Trachelospermumjasminoides NA NA NA TCMSP*
NPO2525 Castanopsis cuspidata Species Fagaceae Eukaryota UNPD*
NPO10449 Arctium lappa Species Asteraceae Eukaryota TM-MC*
NPO7812 Alhagi persarum Species Fabaceae Eukaryota UNPD*
NPO21387 Forsythia suspensa Species Oleaceae Eukaryota TM-MC*
NPO5235 Laburnum watereri Species Fabaceae Eukaryota UNPD*
NPO19805 Forsythia viridissima Species Oleaceae Eukaryota TM-MC*
NPO10449 Arctium lappa Species Asteraceae Eukaryota fruit PMID[22396124]
NPO14834 Trachelospermum asiaticum Species Apocynaceae Eukaryota TM-MC*
NPO13275 Centaurea scabiosa Species Asteraceae Eukaryota fruit PMID[22396124]
NPO12235 Trachelospermum jasminoides Species Apocynaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT759 Cell Line H9 Homo sapiens IC50 > 192000 nM 11473435
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 300000 nM 18986199
NPT71 Cell Line HEK293 Homo sapiens Inhibition = 9.3 % 24018191

  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 NPC299706 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 NPC245615
1.0 High Similarity NPC115466
1.0 High Similarity NPC61604
0.9797 High Similarity NPC163635
0.9793 High Similarity NPC229882
0.9793 High Similarity NPC158635
0.9664 High Similarity NPC478055
0.9597 High Similarity NPC38699
0.9404 High Similarity NPC228357
0.9338 High Similarity NPC186316
0.931 High Similarity NPC470950
0.931 High Similarity NPC185307
0.9257 High Similarity NPC116229
0.9247 High Similarity NPC129417
0.9247 High Similarity NPC283995
0.9247 High Similarity NPC470235
0.9241 High Similarity NPC476356
0.9241 High Similarity NPC52664
0.9184 High Similarity NPC22150
0.9184 High Similarity NPC38041
0.9184 High Similarity NPC279298
0.9178 High Similarity NPC46092
0.9172 High Similarity NPC100675
0.9172 High Similarity NPC472711
0.9122 High Similarity NPC112861
0.9091 High Similarity NPC226759
0.9067 High Similarity NPC478242
0.906 High Similarity NPC114505
0.906 High Similarity NPC224674
0.906 High Similarity NPC31325
0.906 High Similarity NPC15956
0.906 High Similarity NPC275284
0.906 High Similarity NPC213074
0.906 High Similarity NPC39657
0.906 High Similarity NPC193473
0.9054 High Similarity NPC18979
0.9048 High Similarity NPC477898
0.9032 High Similarity NPC469654
0.9026 High Similarity NPC11411
0.9026 High Similarity NPC471405
0.902 High Similarity NPC194095
0.902 High Similarity NPC327032
0.902 High Similarity NPC191046
0.902 High Similarity NPC136757
0.9013 High Similarity NPC478268
0.9006 High Similarity NPC316539
0.8993 High Similarity NPC3982
0.8986 High Similarity NPC84181
0.898 High Similarity NPC246947
0.8974 High Similarity NPC44507
0.8968 High Similarity NPC223335
0.8968 High Similarity NPC40920
0.8966 High Similarity NPC281780
0.8966 High Similarity NPC138738
0.8966 High Similarity NPC470413
0.8961 High Similarity NPC10205
0.8954 High Similarity NPC473236
0.8954 High Similarity NPC44730
0.894 High Similarity NPC474965
0.894 High Similarity NPC216223
0.894 High Similarity NPC51328
0.894 High Similarity NPC174512
0.894 High Similarity NPC111785
0.894 High Similarity NPC55158
0.894 High Similarity NPC477695
0.894 High Similarity NPC293757
0.894 High Similarity NPC145569
0.894 High Similarity NPC286235
0.894 High Similarity NPC668
0.8926 High Similarity NPC223185
0.8926 High Similarity NPC476301
0.8926 High Similarity NPC43508
0.8924 High Similarity NPC116759
0.8924 High Similarity NPC14294
0.8919 High Similarity NPC478239
0.8917 High Similarity NPC115624
0.8912 High Similarity NPC282291
0.8912 High Similarity NPC166137
0.891 High Similarity NPC173726
0.891 High Similarity NPC179914
0.891 High Similarity NPC241600
0.891 High Similarity NPC478269
0.8897 High Similarity NPC52277
0.8897 High Similarity NPC199459
0.8897 High Similarity NPC177035
0.8889 High Similarity NPC36130
0.8889 High Similarity NPC302610
0.8889 High Similarity NPC477699
0.8889 High Similarity NPC56184
0.8889 High Similarity NPC134905
0.8889 High Similarity NPC203664
0.8882 High Similarity NPC475224
0.8882 High Similarity NPC98624
0.8875 High Similarity NPC185498
0.8874 High Similarity NPC130449
0.8874 High Similarity NPC248132
0.8868 High Similarity NPC222531
0.8861 High Similarity NPC22324
0.8859 High Similarity NPC471063
0.8859 High Similarity NPC471667
0.8859 High Similarity NPC79429
0.8859 High Similarity NPC472712
0.8859 High Similarity NPC217635
0.8859 High Similarity NPC472713
0.8859 High Similarity NPC473046
0.8859 High Similarity NPC118385
0.8859 High Similarity NPC110063
0.8859 High Similarity NPC187774
0.8854 High Similarity NPC239966
0.8854 High Similarity NPC203020
0.8854 High Similarity NPC91634
0.8854 High Similarity NPC150943
0.8854 High Similarity NPC268718
0.8851 High Similarity NPC31751
0.8851 High Similarity NPC157816
0.8851 High Similarity NPC253481
0.8851 High Similarity NPC140502
0.8851 High Similarity NPC253722
0.8846 High Similarity NPC133984
0.8844 High Similarity NPC106944
0.8839 High Similarity NPC131532
0.8831 High Similarity NPC157898
0.8831 High Similarity NPC137813
0.8828 High Similarity NPC101624
0.8828 High Similarity NPC184938
0.8828 High Similarity NPC113295
0.8824 High Similarity NPC477700
0.8816 High Similarity NPC106138
0.88 High Similarity NPC476382
0.88 High Similarity NPC100998
0.88 High Similarity NPC34927
0.88 High Similarity NPC262182
0.88 High Similarity NPC287615
0.88 High Similarity NPC216819
0.88 High Similarity NPC34587
0.88 High Similarity NPC469586
0.88 High Similarity NPC252292
0.88 High Similarity NPC83743
0.8797 High Similarity NPC478267
0.8797 High Similarity NPC149873
0.8797 High Similarity NPC7191
0.8797 High Similarity NPC100465
0.8797 High Similarity NPC152424
0.8792 High Similarity NPC470811
0.8792 High Similarity NPC477696
0.8792 High Similarity NPC273657
0.8792 High Similarity NPC113680
0.8792 High Similarity NPC106920
0.8792 High Similarity NPC278961
0.8792 High Similarity NPC477697
0.879 High Similarity NPC160780
0.879 High Similarity NPC469384
0.879 High Similarity NPC289811
0.8784 High Similarity NPC186406
0.8776 High Similarity NPC156376
0.8767 High Similarity NPC471988
0.8766 High Similarity NPC476434
0.8765 High Similarity NPC179240
0.8759 High Similarity NPC476411
0.8759 High Similarity NPC176814
0.8759 High Similarity NPC4982
0.8759 High Similarity NPC67247
0.8759 High Similarity NPC300776
0.8759 High Similarity NPC68779
0.8759 High Similarity NPC5310
0.8759 High Similarity NPC187194
0.8758 High Similarity NPC470934
0.8758 High Similarity NPC472710
0.8758 High Similarity NPC188393
0.8758 High Similarity NPC472709
0.875 High Similarity NPC475738
0.8742 High Similarity NPC276753
0.8742 High Similarity NPC205796
0.8742 High Similarity NPC476865
0.8742 High Similarity NPC212890
0.8742 High Similarity NPC199928
0.8734 High Similarity NPC119910
0.8733 High Similarity NPC25292
0.8733 High Similarity NPC232228
0.8733 High Similarity NPC473045
0.8726 High Similarity NPC1913
0.8726 High Similarity NPC286919
0.8726 High Similarity NPC475663
0.8726 High Similarity NPC472860
0.8725 High Similarity NPC472714
0.8725 High Similarity NPC131971
0.8725 High Similarity NPC189115
0.8725 High Similarity NPC302506
0.8725 High Similarity NPC5262
0.8725 High Similarity NPC469559
0.8725 High Similarity NPC253878
0.8718 High Similarity NPC238834
0.8716 High Similarity NPC147379
0.871 High Similarity NPC245948
0.871 High Similarity NPC65591
0.871 High Similarity NPC178574
0.8707 High Similarity NPC304152
0.8704 High Similarity NPC21956
0.8701 High Similarity NPC32079
0.8699 High Similarity NPC123988

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC299706 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
0.8875 High Similarity NPD7228 Approved
0.879 High Similarity NPD6234 Discontinued
0.871 High Similarity NPD37 Approved
0.8662 High Similarity NPD4967 Phase 2
0.8662 High Similarity NPD4965 Approved
0.8662 High Similarity NPD4966 Approved
0.8447 Intermediate Similarity NPD7199 Phase 2
0.8434 Intermediate Similarity NPD7685 Pre-registration
0.8415 Intermediate Similarity NPD3818 Discontinued
0.84 Intermediate Similarity NPD7266 Discontinued
0.8323 Intermediate Similarity NPD7240 Approved
0.8313 Intermediate Similarity NPD7074 Phase 3
0.8312 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8253 Intermediate Similarity NPD7054 Approved
0.8235 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8232 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8204 Intermediate Similarity NPD7472 Approved
0.8187 Intermediate Similarity NPD8455 Phase 2
0.8166 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD1653 Approved
0.8086 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD7251 Discontinued
0.7953 Intermediate Similarity NPD7808 Phase 3
0.7947 Intermediate Similarity NPD6355 Discontinued
0.7941 Intermediate Similarity NPD6797 Phase 2
0.7935 Intermediate Similarity NPD6674 Discontinued
0.7933 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7919 Intermediate Similarity NPD3027 Phase 3
0.7901 Intermediate Similarity NPD1934 Approved
0.7895 Intermediate Similarity NPD6559 Discontinued
0.7885 Intermediate Similarity NPD4110 Phase 3
0.7885 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7881 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7881 Intermediate Similarity NPD1613 Approved
0.7861 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD7680 Approved
0.7834 Intermediate Similarity NPD6190 Approved
0.7818 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7812 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD8313 Approved
0.7803 Intermediate Similarity NPD8312 Approved
0.7784 Intermediate Similarity NPD8127 Discontinued
0.7771 Intermediate Similarity NPD4628 Phase 3
0.7751 Intermediate Similarity NPD6166 Phase 2
0.7751 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD7097 Phase 1
0.7697 Intermediate Similarity NPD6233 Phase 2
0.7688 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7662 Intermediate Similarity NPD6653 Approved
0.7651 Intermediate Similarity NPD3882 Suspended
0.7636 Intermediate Similarity NPD2801 Approved
0.7636 Intermediate Similarity NPD1465 Phase 2
0.7632 Intermediate Similarity NPD6798 Discontinued
0.763 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD3705 Approved
0.7616 Intermediate Similarity NPD5844 Phase 1
0.7616 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD3817 Phase 2
0.7584 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD1608 Approved
0.7566 Intermediate Similarity NPD7095 Approved
0.755 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD2861 Phase 2
0.7532 Intermediate Similarity NPD4060 Phase 1
0.7516 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD5494 Approved
0.75 Intermediate Similarity NPD1091 Approved
0.75 Intermediate Similarity NPD7075 Discontinued
0.75 Intermediate Similarity NPD7473 Discontinued
0.7468 Intermediate Similarity NPD6004 Phase 3
0.7468 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD6002 Phase 3
0.7468 Intermediate Similarity NPD6005 Phase 3
0.7468 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD5058 Phase 3
0.7452 Intermediate Similarity NPD7033 Discontinued
0.7427 Intermediate Similarity NPD3787 Discontinued
0.7427 Intermediate Similarity NPD6232 Discontinued
0.7415 Intermediate Similarity NPD1357 Approved
0.741 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD5647 Approved
0.7365 Intermediate Similarity NPD17 Approved
0.7358 Intermediate Similarity NPD5763 Approved
0.7358 Intermediate Similarity NPD5762 Approved
0.7355 Intermediate Similarity NPD4062 Phase 3
0.7349 Intermediate Similarity NPD7028 Phase 2
0.7329 Intermediate Similarity NPD8166 Discontinued
0.7329 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD7229 Phase 3
0.7321 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD7819 Suspended
0.7312 Intermediate Similarity NPD5958 Discontinued
0.7308 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD3620 Phase 2
0.7303 Intermediate Similarity NPD2797 Approved
0.7301 Intermediate Similarity NPD1511 Approved
0.7296 Intermediate Similarity NPD2438 Suspended
0.7278 Intermediate Similarity NPD5402 Approved
0.7278 Intermediate Similarity NPD8434 Phase 2
0.7273 Intermediate Similarity NPD4908 Phase 1
0.7261 Intermediate Similarity NPD230 Phase 1
0.7261 Intermediate Similarity NPD1933 Approved
0.7257 Intermediate Similarity NPD3751 Discontinued
0.7246 Intermediate Similarity NPD4380 Phase 2
0.7241 Intermediate Similarity NPD5283 Phase 1
0.7219 Intermediate Similarity NPD2978 Approved
0.7219 Intermediate Similarity NPD2977 Approved
0.7213 Intermediate Similarity NPD7296 Approved
0.7212 Intermediate Similarity NPD1512 Approved
0.7212 Intermediate Similarity NPD6273 Approved
0.7205 Intermediate Similarity NPD4534 Discontinued
0.7197 Intermediate Similarity NPD4140 Approved
0.7188 Intermediate Similarity NPD6099 Approved
0.7188 Intermediate Similarity NPD6100 Approved
0.7186 Intermediate Similarity NPD7458 Discontinued
0.7181 Intermediate Similarity NPD5585 Approved
0.7179 Intermediate Similarity NPD3268 Approved
0.7179 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD3764 Approved
0.7176 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD6801 Discontinued
0.716 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD1610 Phase 2
0.7152 Intermediate Similarity NPD1535 Discovery
0.7152 Intermediate Similarity NPD447 Suspended
0.7143 Intermediate Similarity NPD7157 Approved
0.7134 Intermediate Similarity NPD8032 Phase 2
0.7126 Intermediate Similarity NPD3686 Approved
0.7126 Intermediate Similarity NPD3687 Approved
0.7125 Intermediate Similarity NPD5588 Approved
0.7124 Intermediate Similarity NPD1283 Approved
0.7118 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD3750 Approved
0.7114 Intermediate Similarity NPD1894 Discontinued
0.7105 Intermediate Similarity NPD1481 Phase 2
0.7103 Intermediate Similarity NPD228 Approved
0.7101 Intermediate Similarity NPD6386 Approved
0.7101 Intermediate Similarity NPD6385 Approved
0.7097 Intermediate Similarity NPD9494 Approved
0.7095 Intermediate Similarity NPD7039 Approved
0.7095 Intermediate Similarity NPD7038 Approved
0.7089 Intermediate Similarity NPD2979 Phase 3
0.7083 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD6032 Approved
0.7081 Intermediate Similarity NPD2935 Discontinued
0.7078 Intermediate Similarity NPD6362 Approved
0.7066 Intermediate Similarity NPD5403 Approved
0.7063 Intermediate Similarity NPD4536 Approved
0.7063 Intermediate Similarity NPD4538 Approved
0.7063 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD7843 Approved
0.7044 Intermediate Similarity NPD5735 Approved
0.7037 Intermediate Similarity NPD1375 Discontinued
0.7037 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7768 Phase 2
0.7026 Intermediate Similarity NPD7783 Phase 2
0.7026 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD6663 Approved
0.702 Intermediate Similarity NPD5125 Phase 3
0.702 Intermediate Similarity NPD5126 Approved
0.7019 Intermediate Similarity NPD2799 Discontinued
0.7016 Intermediate Similarity NPD7435 Discontinued
0.7 Intermediate Similarity NPD7411 Suspended
0.6994 Remote Similarity NPD2424 Discontinued
0.6994 Remote Similarity NPD1549 Phase 2
0.699 Remote Similarity NPD7827 Phase 1
0.6988 Remote Similarity NPD6799 Approved
0.6987 Remote Similarity NPD5736 Approved
0.6982 Remote Similarity NPD3226 Approved
0.6981 Remote Similarity NPD1558 Phase 1
0.6981 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6977 Remote Similarity NPD5353 Approved
0.6966 Remote Similarity NPD3022 Approved
0.6966 Remote Similarity NPD3021 Approved
0.6962 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6962 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6951 Remote Similarity NPD1652 Phase 2
0.6948 Remote Similarity NPD4359 Approved
0.6946 Remote Similarity NPD5401 Approved
0.6946 Remote Similarity NPD3146 Approved
0.6946 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6946 Remote Similarity NPD2532 Approved
0.6946 Remote Similarity NPD2533 Approved
0.6946 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6946 Remote Similarity NPD2534 Approved
0.6943 Remote Similarity NPD7999 Approved
0.6941 Remote Similarity NPD6599 Discontinued
0.6939 Remote Similarity NPD5535 Approved
0.6937 Remote Similarity NPD4622 Approved
0.6937 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6937 Remote Similarity NPD4618 Approved
0.6937 Remote Similarity NPD4340 Discontinued

Structure

External Identifiers

PubChem CID   486612
ChEMBL   CHEMBL459834
ZINC  

Physicochemical Properties

Molecular Weight:  520.19
ALogP:  -2.659
MLogP:  3.11
XLogP:  1.307
# Rotatable Bonds:  16
Polar Surface Area:  164.37
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  4
# Heavy Atoms:  37

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