Natural Product: NPC130449

Natural Product ID:  NPC130449
Common Name:   Syringaresinol-Beta-D Glucoside
IUPAC Name:   (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:  
Molecular Formula:   C28H36O13
Standard InCHIKey:  WEKCEGQSIIQPAQ-IRBNZIFYSA-N
Standard InCHI:  InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2c(OC)cc(cc2OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(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
NPO14254 Kandelia candel Species Rhizophoraceae Eukaryota leaves and stems Ha Long, Quang Ninh province, Vietnam 2014-JUL PMID[25769817]
NPO18521 Capparis flavicans Species Capparaceae Eukaryota Aerial parts Khon Kaen Province, Thailand 2006-AUG PMID[19943620]
NPO15280 Sideritis grandiflora Species Lamiaceae Eukaryota UNPD*
NPO17141 Lonchocarpus longistylus Species Fabaceae Eukaryota UNPD*
NPO15954 Pyrenula japonica Species Pyrenulaceae Eukaryota UNPD*
NPO9588 Atelopus chiriquiensis Species Bufonidae Eukaryota UNPD*
NPO5594 Notholaena nivea Species Pteridaceae Eukaryota UNPD*
NPO1287 Coriaria nepalensis Species Coriariaceae Eukaryota UNPD*
NPO5016 Glossogyne tenuifolia Species Asteraceae Eukaryota UNPD*
NPO6178 Solanum euacanthum Species Solanaceae Eukaryota UNPD*
NPO16259 Syringa reticulata Species Oleaceae Eukaryota PMID[21955940]
NPO5848 Pimpinella nudicaulis Species Apiaceae Eukaryota UNPD*
NPO14559 Acer saccharum Species Sapindaceae Eukaryota bark PMID[22032697]
NPO17600 Gnathotrichus sulcatus Species Curculionidae Eukaryota UNPD*
NPO1830 Dalbergia sissoo Species Fabaceae Eukaryota Leaves PMID[22212722]
NPO26304 Hymenocallis littoralis Species Amaryllidaceae Eukaryota UNPD*
NPO15662 Ligustrum ovalifolium Species Oleaceae Eukaryota UNPD*
NPO4581 Ungernia victoris Species Amaryllidaceae Eukaryota UNPD*
NPO12630 Senecio oxyodontus Species Asteraceae Eukaryota UNPD*
NPO619 Ankistrodesmus braunii Species Selenastraceae Eukaryota UNPD*
NPO14001 Ceroplastes pseudoceriferus Species Coccidae Eukaryota UNPD*
NPO11755 Banisteriopsis caapi Species Malpighiaceae Eukaryota UNPD*
NPO25200 Takifugu niphobles Species Tetraodontidae Eukaryota UNPD*
NPO326 Pittosporum brevicalyx Species Pittosporaceae Eukaryota UNPD*
NPO14507.1 Quercus ithaburensis subsp. macrolepis Subspecies Fagaceae Eukaryota UNPD*
NPO9474 Clausena pentaphylla Species Rutaceae Eukaryota UNPD*
NPO18071 Euryops pedunculatus Species Asteraceae Eukaryota UNPD*
NPO16326 Scopolia parviflora Species Solanaceae Eukaryota UNPD*
NPO17444 Gleichenia japonica Species Gleicheniaceae Eukaryota UNPD*
NPO29635 Eucommiae cortex NA NA NA TCMSP*
NPO10751 Bothriocline laxa Species Asteraceae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TCMSP*
NPO15740 Garcinia purpurea Species Clusiaceae Eukaryota UNPD*
NPO21166 Kalopanax septemlobus Species Araliaceae Eukaryota TM-MC*
NPO16049 Cryptocarya pleurosperma Species Lauraceae Eukaryota UNPD*
NPO11809 Eleutherococcus sessiliflorus Species Araliaceae Eukaryota TCMID*
NPO13053 Corydalis conspersa Species Papaveraceae Eukaryota UNPD*
NPO17917 Thamnophis sirtalis Species Colubridae Eukaryota UNPD*
NPO17757 Plectranthus saccatus Species Lamiaceae Eukaryota UNPD*
NPO8966 Callophycus serratus Species Solieriaceae Eukaryota UNPD*
NPO16210 Androcymbium palaestinum Species Colchicaceae Eukaryota UNPD*
NPO5019 Mespilus germanica Species Rosaceae Eukaryota UNPD*
NPO22493 Xenia crassa Species Xeniidae Eukaryota UNPD*
NPO16239 Rhodiola rosea Species Crassulaceae Eukaryota UNPD*
NPO3894 Dendrobium nobile Species Orchidaceae Eukaryota UNPD*
NPO1575 Mikania luetzelburgii Species Asteraceae Eukaryota UNPD*
NPO16693 Byrsonima crassifolia Species Malpighiaceae Eukaryota UNPD*
NPO11280 Aphanoascus terreus Species Onygenaceae Eukaryota UNPD*
NPO11242 Gynochthodes parvifolia Species Rubiaceae Eukaryota UNPD*
NPO9141 Epimedium wushanense Species Berberidaceae Eukaryota UNPD*
NPO15594 Aplidiopsis confluata NA NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens Activity < 0.1 nM 19943620
NPT396 Cell Line T47D Homo sapiens Activity < 0.1 nM 19943620
NPT396 Cell Line T47D Homo sapiens Activity = 0.019 nM 19943620
NPT396 Cell Line T47D Homo sapiens Activity > 0.1 nM 19943620
NPT2 Others Unspecified EC50 > 100000 nM 21955940
NPT1 Others Radical scavenging activity EC50 > 100000 nM 21955940
NPT393 Cell Line HCT-116 Homo sapiens IC50 < 5 ug/ml 22032697
NPT492 Cell Line Caco-2 Homo sapiens IC50 < 5 ug/ml 22032697
NPT2 Others Unspecified IC50 < 5 ug/ml 22032697
NPT2 Others Unspecified IC50 > 50000 nM 25769817

  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 NPC130449 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 NPC248132
0.9929 High Similarity NPC286235
0.9929 High Similarity NPC55158
0.9929 High Similarity NPC51328
0.9787 High Similarity NPC39657
0.9714 High Similarity NPC187774
0.9714 High Similarity NPC118385
0.9714 High Similarity NPC472712
0.9714 High Similarity NPC472713
0.9714 High Similarity NPC473046
0.9645 High Similarity NPC22150
0.9645 High Similarity NPC38041
0.9645 High Similarity NPC279298
0.9583 High Similarity NPC472710
0.9583 High Similarity NPC472709
0.9577 High Similarity NPC112861
0.9571 High Similarity NPC472714
0.9571 High Similarity NPC5262
0.9514 High Similarity NPC35877
0.9514 High Similarity NPC55715
0.9514 High Similarity NPC95392
0.9507 High Similarity NPC18979
0.9504 High Similarity NPC185307
0.9504 High Similarity NPC470950
0.9504 High Similarity NPC477898
0.9437 High Similarity NPC283995
0.9437 High Similarity NPC473045
0.9437 High Similarity NPC470235
0.9437 High Similarity NPC25292
0.9437 High Similarity NPC84181
0.9437 High Similarity NPC129417
0.9433 High Similarity NPC189115
0.9433 High Similarity NPC476356
0.9433 High Similarity NPC246947
0.9433 High Similarity NPC469559
0.9429 High Similarity NPC226547
0.9429 High Similarity NPC177868
0.9371 High Similarity NPC475096
0.9366 High Similarity NPC12728
0.9366 High Similarity NPC46092
0.9366 High Similarity NPC473044
0.9366 High Similarity NPC185071
0.9362 High Similarity NPC469661
0.9362 High Similarity NPC472711
0.9315 High Similarity NPC475224
0.9315 High Similarity NPC98624
0.931 High Similarity NPC270751
0.931 High Similarity NPC166584
0.931 High Similarity NPC301961
0.9306 High Similarity NPC190714
0.9306 High Similarity NPC99515
0.9306 High Similarity NPC212890
0.9306 High Similarity NPC226540
0.9301 High Similarity NPC471415
0.9301 High Similarity NPC470097
0.9301 High Similarity NPC114119
0.9286 High Similarity NPC283949
0.9286 High Similarity NPC474039
0.9241 High Similarity NPC275284
0.9241 High Similarity NPC114505
0.9241 High Similarity NPC31325
0.9241 High Similarity NPC213074
0.9241 High Similarity NPC15956
0.9241 High Similarity NPC227902
0.9241 High Similarity NPC224674
0.9241 High Similarity NPC193473
0.9236 High Similarity NPC469586
0.9236 High Similarity NPC477702
0.9236 High Similarity NPC277867
0.9236 High Similarity NPC161700
0.9236 High Similarity NPC307466
0.9231 High Similarity NPC298317
0.9231 High Similarity NPC255566
0.922 High Similarity NPC98777
0.922 High Similarity NPC212770
0.922 High Similarity NPC156376
0.9184 High Similarity NPC238140
0.9178 High Similarity NPC71726
0.9178 High Similarity NPC175976
0.9172 High Similarity NPC125755
0.9172 High Similarity NPC276753
0.9172 High Similarity NPC317053
0.9172 High Similarity NPC205796
0.9172 High Similarity NPC324492
0.9161 High Similarity NPC302506
0.9161 High Similarity NPC475084
0.9155 High Similarity NPC46591
0.9155 High Similarity NPC56091
0.9149 High Similarity NPC59324
0.9149 High Similarity NPC470413
0.9149 High Similarity NPC138738
0.9149 High Similarity NPC65530
0.9149 High Similarity NPC185908
0.9143 High Similarity NPC236522
0.9143 High Similarity NPC24490
0.9143 High Similarity NPC150534
0.9143 High Similarity NPC141765
0.9143 High Similarity NPC34103
0.9143 High Similarity NPC165155
0.911 High Similarity NPC328567
0.911 High Similarity NPC320970
0.911 High Similarity NPC320671
0.911 High Similarity NPC327412
0.9103 High Similarity NPC476301
0.9103 High Similarity NPC180953
0.9103 High Similarity NPC178014
0.9103 High Similarity NPC43508
0.9103 High Similarity NPC42716
0.9103 High Similarity NPC474749
0.9103 High Similarity NPC11422
0.9097 High Similarity NPC37793
0.9097 High Similarity NPC81638
0.9091 High Similarity NPC471908
0.9078 High Similarity NPC25695
0.9078 High Similarity NPC177035
0.9078 High Similarity NPC242028
0.9078 High Similarity NPC52277
0.9078 High Similarity NPC203230
0.9078 High Similarity NPC172818
0.9078 High Similarity NPC199459
0.9071 High Similarity NPC13745
0.9071 High Similarity NPC326095
0.9071 High Similarity NPC48863
0.9071 High Similarity NPC107478
0.9071 High Similarity NPC251981
0.9071 High Similarity NPC244983
0.9067 High Similarity NPC159922
0.906 High Similarity NPC302610
0.9054 High Similarity NPC145979
0.9054 High Similarity NPC225815
0.9054 High Similarity NPC185955
0.9054 High Similarity NPC9933
0.9054 High Similarity NPC182368
0.9054 High Similarity NPC469706
0.9054 High Similarity NPC469707
0.9054 High Similarity NPC218041
0.9054 High Similarity NPC214326
0.9054 High Similarity NPC260781
0.9048 High Similarity NPC226153
0.9048 High Similarity NPC304048
0.9041 High Similarity NPC162193
0.9034 High Similarity NPC168579
0.9034 High Similarity NPC471063
0.9034 High Similarity NPC179521
0.9034 High Similarity NPC138227
0.9034 High Similarity NPC471667
0.9034 High Similarity NPC469313
0.9034 High Similarity NPC76176
0.9034 High Similarity NPC217635
0.9034 High Similarity NPC79429
0.9028 High Similarity NPC287124
0.9021 High Similarity NPC309124
0.9021 High Similarity NPC266197
0.9021 High Similarity NPC184797
0.9021 High Similarity NPC106944
0.9021 High Similarity NPC291101
0.9014 High Similarity NPC195196
0.9007 High Similarity NPC99572
0.9007 High Similarity NPC126409
0.9007 High Similarity NPC184938
0.9007 High Similarity NPC135777
0.9007 High Similarity NPC101624
0.9007 High Similarity NPC142547
0.9 High Similarity NPC215833
0.9 High Similarity NPC69513
0.8986 High Similarity NPC240521
0.8986 High Similarity NPC473266
0.8986 High Similarity NPC470826
0.8986 High Similarity NPC470098
0.8986 High Similarity NPC106138
0.898 High Similarity NPC15538
0.898 High Similarity NPC473480
0.8974 High Similarity NPC59516
0.8966 High Similarity NPC278961
0.8966 High Similarity NPC474808
0.8966 High Similarity NPC252169
0.8966 High Similarity NPC113680
0.8958 High Similarity NPC247291
0.8958 High Similarity NPC311530
0.8951 High Similarity NPC236306
0.8951 High Similarity NPC193666
0.8951 High Similarity NPC292487
0.8951 High Similarity NPC232164
0.8951 High Similarity NPC88640
0.8951 High Similarity NPC123526
0.8951 High Similarity NPC473739
0.8947 High Similarity NPC11411
0.8944 High Similarity NPC164857
0.8936 High Similarity NPC170694
0.8936 High Similarity NPC187194
0.8936 High Similarity NPC476411
0.8936 High Similarity NPC287745
0.8933 High Similarity NPC21902
0.8929 High Similarity NPC65183
0.8929 High Similarity NPC470270
0.8929 High Similarity NPC175067
0.8929 High Similarity NPC261812
0.8929 High Similarity NPC204215
0.8929 High Similarity NPC299144
0.8929 High Similarity NPC72046

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC130449 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
0.8679 High Similarity NPD7228 Approved
0.859 High Similarity NPD6234 Discontinued
0.8582 High Similarity NPD3027 Phase 3
0.8531 High Similarity NPD1612 Clinical (unspecified phase)
0.8531 High Similarity NPD1613 Approved
0.8462 Intermediate Similarity NPD4967 Phase 2
0.8462 Intermediate Similarity NPD4966 Approved
0.8462 Intermediate Similarity NPD4965 Approved
0.831 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8269 Intermediate Similarity NPD37 Approved
0.8252 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8247 Intermediate Similarity NPD1653 Approved
0.82 Intermediate Similarity NPD6674 Discontinued
0.8137 Intermediate Similarity NPD7199 Phase 2
0.8133 Intermediate Similarity NPD7240 Approved
0.8121 Intermediate Similarity NPD7074 Phase 3
0.811 Intermediate Similarity NPD3818 Discontinued
0.8067 Intermediate Similarity NPD7266 Discontinued
0.8061 Intermediate Similarity NPD7054 Approved
0.8012 Intermediate Similarity NPD7472 Approved
0.7927 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7887 Intermediate Similarity NPD3705 Approved
0.7877 Intermediate Similarity NPD4908 Phase 1
0.7811 Intermediate Similarity NPD7251 Discontinued
0.777 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD7808 Phase 3
0.7762 Intermediate Similarity NPD1610 Phase 2
0.7762 Intermediate Similarity NPD1091 Approved
0.7753 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD6797 Phase 2
0.7702 Intermediate Similarity NPD1934 Approved
0.7687 Intermediate Similarity NPD2861 Phase 2
0.7674 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD6559 Discontinued
0.7582 Intermediate Similarity NPD7680 Approved
0.758 Intermediate Similarity NPD5058 Phase 3
0.756 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD6166 Phase 2
0.7552 Intermediate Similarity NPD1357 Approved
0.755 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD3620 Phase 2
0.7546 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD4749 Approved
0.7532 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7685 Pre-registration
0.7427 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD2983 Phase 2
0.7415 Intermediate Similarity NPD2982 Phase 2
0.741 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD5283 Phase 1
0.7361 Intermediate Similarity NPD1548 Phase 1
0.7351 Intermediate Similarity NPD4625 Phase 3
0.7349 Intermediate Similarity NPD3882 Suspended
0.7347 Intermediate Similarity NPD2981 Phase 2
0.7333 Intermediate Similarity NPD3018 Phase 2
0.7333 Intermediate Similarity NPD2977 Approved
0.7333 Intermediate Similarity NPD2978 Approved
0.7333 Intermediate Similarity NPD2801 Approved
0.7333 Intermediate Similarity NPD8455 Phase 2
0.7278 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5735 Approved
0.7273 Intermediate Similarity NPD7157 Approved
0.7247 Intermediate Similarity NPD6841 Approved
0.7247 Intermediate Similarity NPD6842 Approved
0.7247 Intermediate Similarity NPD6843 Phase 3
0.7244 Intermediate Similarity NPD5588 Approved
0.7241 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD228 Approved
0.7229 Intermediate Similarity NPD1465 Phase 2
0.7225 Intermediate Similarity NPD5844 Phase 1
0.7219 Intermediate Similarity NPD5494 Approved
0.7208 Intermediate Similarity NPD4060 Phase 1
0.7186 Intermediate Similarity NPD3817 Phase 2
0.7183 Intermediate Similarity NPD7843 Approved
0.7179 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD4538 Approved
0.7179 Intermediate Similarity NPD4536 Approved
0.7169 Intermediate Similarity NPD3382 Approved
0.7169 Intermediate Similarity NPD3383 Approved
0.7169 Intermediate Similarity NPD3384 Approved
0.7152 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD1375 Discontinued
0.7143 Intermediate Similarity NPD5126 Approved
0.7143 Intermediate Similarity NPD5125 Phase 3
0.7101 Intermediate Similarity NPD7075 Discontinued
0.7099 Intermediate Similarity NPD1511 Approved
0.7097 Intermediate Similarity NPD1558 Phase 1
0.7092 Intermediate Similarity NPD3021 Approved
0.7092 Intermediate Similarity NPD3022 Approved
0.7091 Intermediate Similarity NPD4005 Discontinued
0.7089 Intermediate Similarity NPD6100 Approved
0.7089 Intermediate Similarity NPD6099 Approved
0.7081 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD7097 Phase 1
0.7067 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD1652 Phase 2
0.7051 Intermediate Similarity NPD5124 Phase 1
0.7051 Intermediate Similarity NPD6355 Discontinued
0.7051 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD4678 Approved
0.7048 Intermediate Similarity NPD4675 Approved
0.7048 Intermediate Similarity NPD4380 Phase 2
0.7044 Intermediate Similarity NPD5762 Approved
0.7044 Intermediate Similarity NPD5763 Approved
0.7035 Intermediate Similarity NPD3787 Discontinued
0.7025 Intermediate Similarity NPD5960 Phase 3
0.7025 Intermediate Similarity NPD4108 Discontinued
0.7021 Intermediate Similarity NPD2684 Approved
0.702 Intermediate Similarity NPD8651 Approved
0.7019 Intermediate Similarity NPD6331 Phase 2
0.7019 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD4110 Phase 3
0.7013 Intermediate Similarity NPD7095 Approved
0.7012 Intermediate Similarity NPD1512 Approved
0.7011 Intermediate Similarity NPD7473 Discontinued
0.7006 Intermediate Similarity NPD6653 Approved
0.6982 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6977 Remote Similarity NPD8127 Discontinued
0.6975 Remote Similarity NPD6190 Approved
0.6966 Remote Similarity NPD7549 Discontinued
0.6961 Remote Similarity NPD7906 Approved
0.6957 Remote Similarity NPD4236 Phase 3
0.6957 Remote Similarity NPD5177 Phase 3
0.6957 Remote Similarity NPD4237 Approved
0.6954 Remote Similarity NPD27 Approved
0.6954 Remote Similarity NPD2489 Approved
0.6951 Remote Similarity NPD7447 Phase 1
0.6951 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6937 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6936 Remote Similarity NPD6232 Discontinued
0.6933 Remote Similarity NPD7124 Phase 2
0.6927 Remote Similarity NPD7313 Approved
0.6927 Remote Similarity NPD7311 Approved
0.6927 Remote Similarity NPD7312 Approved
0.6927 Remote Similarity NPD8313 Approved
0.6927 Remote Similarity NPD8312 Approved
0.6927 Remote Similarity NPD7310 Approved
0.6923 Remote Similarity NPD5772 Approved
0.6923 Remote Similarity NPD5773 Approved
0.6923 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7819 Suspended
0.6918 Remote Similarity NPD6671 Approved
0.6914 Remote Similarity NPD3892 Phase 2
0.6914 Remote Similarity NPD7466 Approved
0.6914 Remote Similarity NPD4628 Phase 3
0.6906 Remote Similarity NPD4663 Approved
0.6905 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6897 Remote Similarity NPD2970 Approved
0.6897 Remote Similarity NPD2969 Approved
0.689 Remote Similarity NPD7213 Phase 3
0.689 Remote Similarity NPD7212 Phase 2
0.6889 Remote Similarity NPD8054 Approved
0.6889 Remote Similarity NPD8053 Approved
0.6889 Remote Similarity NPD7309 Approved
0.6879 Remote Similarity NPD4140 Approved
0.6875 Remote Similarity NPD3751 Discontinued
0.6875 Remote Similarity NPD2161 Phase 2
0.6871 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6868 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6855 Remote Similarity NPD6111 Discontinued
0.6852 Remote Similarity NPD3060 Approved
0.6845 Remote Similarity NPD7028 Phase 2
0.6842 Remote Similarity NPD5327 Phase 3
0.6839 Remote Similarity NPD7229 Phase 3
0.6839 Remote Similarity NPD6071 Discontinued
0.6839 Remote Similarity NPD3051 Approved
0.6835 Remote Similarity NPD230 Phase 1
0.6833 Remote Similarity NPD4577 Approved
0.6833 Remote Similarity NPD4578 Approved
0.6832 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6832 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6832 Remote Similarity NPD3540 Phase 1
0.6829 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6821 Remote Similarity NPD422 Phase 1
0.6821 Remote Similarity NPD7827 Phase 1
0.6818 Remote Similarity NPD6584 Phase 3
0.6815 Remote Similarity NPD6233 Phase 2
0.6813 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6813 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6807 Remote Similarity NPD7526 Approved
0.6807 Remote Similarity NPD52 Approved
0.6807 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6807 Remote Similarity NPD7527 Clinical (unspecified phase)
0.68 Remote Similarity NPD6516 Phase 2
0.68 Remote Similarity NPD5846 Approved
0.6797 Remote Similarity NPD6696 Suspended
0.6792 Remote Similarity NPD6353 Approved
0.679 Remote Similarity NPD1549 Phase 2
0.6788 Remote Similarity NPD4357 Discontinued

Structure

External Identifiers

PubChem CID   443024
ChEMBL   CHEMBL1077080
ZINC  

Physicochemical Properties

Molecular Weight:  580.22
ALogP:  -3.8727
MLogP:  3.11
XLogP:  -0.312
# Rotatable Bonds:  18
Polar Surface Area:  174.99
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  5
# Heavy Atoms:  41

Download Data

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Biological Activities  
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