Natural Product: NPC252169

Natural Product ID:  NPC252169
Common Name:   Trans-3,5,4'-Trihydroxystilbene 2-C-Glucoside
IUPAC Name:   (2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:  
Molecular Formula:   C20H22O9
Standard InCHIKey:  JAYVHSBYKLLDJC-DSNJPTTOSA-N
Standard InCHI:  InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2c(/C=C/c3ccc(cc3)O)cc(cc2O)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
NPO14000 Hopea exalata Species Dipterocarpaceae Eukaryota stem bark Botanical Garden at Jianfeng Town, Ledong County, Hainan Province, China 2004-JUL PMID[17190464]
NPO4345 Caulocystis cephalornithos Species Sargassaceae Eukaryota UNPD*
NPO14014 Eriocheir sinensis Species Varunidae Eukaryota UNPD*
NPO13716 Aconitum tasiromontanum Species Ranunculaceae Eukaryota UNPD*
NPO1501 Senecio subdentatus Species Asteraceae Eukaryota UNPD*
NPO13523 Neobalanocarpus heimii Species Dipterocarpaceae Eukaryota UNPD*
NPO986 Rattus rattus Species Muridae Eukaryota UNPD*
NPO10688 Flacourtia jangomas Species Salicaceae Eukaryota UNPD*
NPO29417 Fallopia multiflora Species Polygonaceae Eukaryota TM-MC*
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota UNPD*
NPO12079 Dysoxylum cumingianum Species Meliaceae Eukaryota UNPD*
NPO14520 Bassia muricata Species Chenopodiaceae Eukaryota UNPD*
NPO12252 Psychotria stachyoides Species Rubiaceae Eukaryota UNPD*
NPO2198 Rivularia firma Species Rivulariaceae Bacteria UNPD*
NPO15297 Aconitum seravschanicum Species Ranunculaceae Eukaryota UNPD*
NPO9448 Dictyopteris australis Species Dictyotaceae Eukaryota UNPD*
NPO13421 Sphaerella laricina NA NA NA UNPD*
NPO624 Isaria fumosorosea Species Cordycipitaceae Eukaryota UNPD*
NPO12477 Dodonaea viscosa Species Sapindaceae Eukaryota UNPD*
NPO22526 Justicia secunda Species Acanthaceae Eukaryota UNPD*
NPO13403 Gadus morhua callarias Species Gadidae Eukaryota UNPD*
NPO14412 Aphyllocladus denticulatus Species Asteraceae Eukaryota UNPD*
NPO14104 Dendriopoterium menendezii Species Rosaceae Eukaryota UNPD*
NPO11749 Eria mollis Species Orchidaceae Eukaryota UNPD*
NPO7819.1 Epichloe festucae var. lolii Varieties Clavicipitaceae Eukaryota UNPD*
NPO14217 Adansonia grandidieri Species Malvaceae Eukaryota UNPD*
NPO8386 Enceliopsis argophylla Species Asteraceae Eukaryota UNPD*
NPO9752 Miliusa velutina Species Annonaceae Eukaryota UNPD*
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota UNPD*
NPO3214 Lavandula vera Species Lamiaceae Eukaryota UNPD*
NPO2631 Aster sedifolius Species Asteraceae Eukaryota UNPD*
NPO16590 Cytophaga hutchinsoni Species Cytophagaceae Bacteria UNPD*
NPO11580 Onobrychis arenaria Species Fabaceae Eukaryota UNPD*
NPO13237 Teucrium yemense Species Lamiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 14 % 7714535
NPT2 Others Unspecified Inhibition = 25 % 7714535
NPT2 Others Unspecified Inhibition = 28 % 7714535
NPT2 Others Unspecified Inhibition = 41 % 7714535
NPT2 Others Unspecified Inhibition = 56 % 7714535
NPT2 Others Unspecified Inhibition = 62 % 7714535
NPT2 Others Unspecified Inhibition = 75 % 7714535
NPT2 Others Unspecified Inhibition = 8 % 7714535
NPT2 Others Unspecified Inhibition = 15 % 7714535
NPT2 Others Unspecified Inhibition = 44 % 7714535
NPT2 Others Unspecified Inhibition = 70 % 7714535
NPT2 Others Unspecified Inhibition = 95 % 7714535
NPT2 Others Unspecified Inhibition = 98 % 7714535
NPT2 Others Unspecified IC50 = 240000 nM 7714535
NPT1199 Organism Valsa mali Valsa mali MIC = 6.25 ug/ml 17190464
NPT826 Organism Magnaporthe oryzae Magnaporthe oryzae MIC = 22.3 ug/ml 17190464
NPT962 Organism Alternaria alternata Alternaria alternata MIC > 50 ug/ml 17190464
NPT2705 Organism Alternaria solani Alternaria solani MIC > 50 ug/ml 17190464
NPT2637 Organism Colletotrichum lagenarium Colletotrichum lagenarium MIC > 50 ug/ml 17190464
NPT2648 Organism Fusarium oxysporum f. sp. vasinfectum Fusarium oxysporum f. sp. vasinfectum MIC > 50 ug/ml 17190464
NPT2739 Individual Protein Tyrosinase Mus musculus Ki = 3100000 nM 24933607
NPT2739 Individual Protein Tyrosinase Mus musculus Ki = 2800000 nM 24933607
NPT2739 Individual Protein Tyrosinase Mus musculus Ki = 2500000 nM 24933607
NPT2739 Individual Protein Tyrosinase Mus musculus Activity = 103 % 24933607
NPT43 Individual Protein Tyrosinase Agaricus bisporus Activity = 12 % 25686594

  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 NPC252169 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
0.9779 High Similarity NPC475084
0.9712 High Similarity NPC227902
0.9643 High Similarity NPC175976
0.963 High Similarity NPC59324
0.963 High Similarity NPC65530
0.9568 High Similarity NPC475096
0.9562 High Similarity NPC469661
0.9559 High Similarity NPC212770
0.9559 High Similarity NPC98777
0.9556 High Similarity NPC203230
0.9556 High Similarity NPC242028
0.95 High Similarity NPC125755
0.95 High Similarity NPC190714
0.95 High Similarity NPC99515
0.9496 High Similarity NPC168579
0.9496 High Similarity NPC76176
0.9496 High Similarity NPC138227
0.9496 High Similarity NPC469313
0.9493 High Similarity NPC469559
0.9493 High Similarity NPC189115
0.9429 High Similarity NPC277867
0.9429 High Similarity NPC161700
0.9424 High Similarity NPC37793
0.9412 High Similarity NPC104167
0.9357 High Similarity NPC473045
0.9357 High Similarity NPC25292
0.931 High Similarity NPC78809
0.9296 High Similarity NPC15538
0.9296 High Similarity NPC473480
0.9286 High Similarity NPC473044
0.9265 High Similarity NPC87696
0.9259 High Similarity NPC165686
0.9259 High Similarity NPC303422
0.9259 High Similarity NPC85799
0.9259 High Similarity NPC26080
0.9231 High Similarity NPC478237
0.9231 High Similarity NPC280945
0.9203 High Similarity NPC138738
0.9203 High Similarity NPC326797
0.9203 High Similarity NPC103976
0.9203 High Similarity NPC474282
0.9203 High Similarity NPC470413
0.9203 High Similarity NPC102904
0.9203 High Similarity NPC107551
0.9203 High Similarity NPC176051
0.9197 High Similarity NPC472337
0.9191 High Similarity NPC49074
0.9191 High Similarity NPC294166
0.9191 High Similarity NPC132895
0.9191 High Similarity NPC115022
0.9185 High Similarity NPC121376
0.9185 High Similarity NPC166168
0.9172 High Similarity NPC213197
0.9167 High Similarity NPC313334
0.9167 High Similarity NPC206264
0.9167 High Similarity NPC212670
0.9161 High Similarity NPC39657
0.9155 High Similarity NPC307466
0.9149 High Similarity NPC81638
0.9143 High Similarity NPC210192
0.9143 High Similarity NPC471389
0.9137 High Similarity NPC292487
0.913 High Similarity NPC16435
0.913 High Similarity NPC306441
0.913 High Similarity NPC472334
0.913 High Similarity NPC164857
0.913 High Similarity NPC302701
0.913 High Similarity NPC269091
0.913 High Similarity NPC472336
0.9124 High Similarity NPC188555
0.9124 High Similarity NPC310854
0.9124 High Similarity NPC170694
0.9124 High Similarity NPC13745
0.9124 High Similarity NPC251981
0.9124 High Similarity NPC130496
0.9124 High Similarity NPC48863
0.9124 High Similarity NPC107478
0.9118 High Similarity NPC162093
0.9118 High Similarity NPC299144
0.9118 High Similarity NPC470270
0.911 High Similarity NPC21902
0.9103 High Similarity NPC472709
0.9103 High Similarity NPC238140
0.9103 High Similarity NPC472710
0.9097 High Similarity NPC166584
0.9097 High Similarity NPC301961
0.9091 High Similarity NPC199928
0.9091 High Similarity NPC226540
0.9085 High Similarity NPC232228
0.9085 High Similarity NPC292443
0.9078 High Similarity NPC472714
0.9078 High Similarity NPC5262
0.9071 High Similarity NPC106944
0.9065 High Similarity NPC276490
0.9058 High Similarity NPC234333
0.9058 High Similarity NPC112939
0.9058 High Similarity NPC61946
0.9058 High Similarity NPC47398
0.9058 High Similarity NPC164787
0.9058 High Similarity NPC470356
0.9058 High Similarity NPC94750
0.9058 High Similarity NPC474206
0.9058 High Similarity NPC238243
0.9058 High Similarity NPC470236
0.9058 High Similarity NPC121812
0.9058 High Similarity NPC112246
0.9058 High Similarity NPC260898
0.9051 High Similarity NPC69513
0.9051 High Similarity NPC215833
0.9048 High Similarity NPC150442
0.9041 High Similarity NPC473621
0.9037 High Similarity NPC218003
0.9034 High Similarity NPC286235
0.9034 High Similarity NPC106138
0.9034 High Similarity NPC55158
0.9034 High Similarity NPC51328
0.9028 High Similarity NPC41844
0.9021 High Similarity NPC474749
0.9021 High Similarity NPC42716
0.9021 High Similarity NPC178014
0.9021 High Similarity NPC11422
0.9 High Similarity NPC127218
0.9 High Similarity NPC25966
0.9 High Similarity NPC471388
0.9 High Similarity NPC319647
0.9 High Similarity NPC245207
0.8993 High Similarity NPC227503
0.8993 High Similarity NPC40664
0.8993 High Similarity NPC25695
0.8993 High Similarity NPC52277
0.8993 High Similarity NPC199459
0.8993 High Similarity NPC165482
0.8993 High Similarity NPC3293
0.8993 High Similarity NPC474639
0.8993 High Similarity NPC172818
0.8993 High Similarity NPC230734
0.8993 High Similarity NPC197723
0.8993 High Similarity NPC177035
0.8993 High Similarity NPC138350
0.8986 High Similarity NPC187194
0.8986 High Similarity NPC476411
0.898 High Similarity NPC53587
0.898 High Similarity NPC176186
0.898 High Similarity NPC169404
0.8978 High Similarity NPC16208
0.8978 High Similarity NPC61477
0.8978 High Similarity NPC261619
0.8978 High Similarity NPC185604
0.8978 High Similarity NPC219876
0.8978 High Similarity NPC7903
0.8978 High Similarity NPC78770
0.8978 High Similarity NPC15658
0.8978 High Similarity NPC184447
0.8978 High Similarity NPC160991
0.8978 High Similarity NPC35932
0.8978 High Similarity NPC126029
0.8971 High Similarity NPC214860
0.8966 High Similarity NPC96294
0.8966 High Similarity NPC130449
0.8966 High Similarity NPC93924
0.8966 High Similarity NPC248132
0.8966 High Similarity NPC270751
0.8963 High Similarity NPC40377
0.8958 High Similarity NPC162193
0.8951 High Similarity NPC472713
0.8951 High Similarity NPC187774
0.8951 High Similarity NPC473046
0.8951 High Similarity NPC118385
0.8951 High Similarity NPC472712
0.8944 High Similarity NPC107161
0.8944 High Similarity NPC145319
0.894 High Similarity NPC1253
0.894 High Similarity NPC100936
0.8929 High Similarity NPC262328
0.8929 High Similarity NPC87777
0.8929 High Similarity NPC195196
0.8929 High Similarity NPC134260
0.8929 High Similarity NPC211549
0.8929 High Similarity NPC124149
0.8921 High Similarity NPC151224
0.8921 High Similarity NPC195022
0.8913 High Similarity NPC475840
0.8913 High Similarity NPC229442
0.8913 High Similarity NPC168059
0.8913 High Similarity NPC263064
0.8913 High Similarity NPC11060
0.8905 High Similarity NPC42760
0.8905 High Similarity NPC248307
0.8905 High Similarity NPC472597
0.8905 High Similarity NPC220825
0.8905 High Similarity NPC469698
0.8905 High Similarity NPC65942
0.8905 High Similarity NPC268266
0.8905 High Similarity NPC473412
0.8905 High Similarity NPC268342
0.8905 High Similarity NPC9912
0.8897 High Similarity NPC275284
0.8897 High Similarity NPC166040
0.8897 High Similarity NPC114505
0.8897 High Similarity NPC213074

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC252169 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
0.9167 High Similarity NPD1653 Approved
0.8978 High Similarity NPD1612 Clinical (unspecified phase)
0.8978 High Similarity NPD1613 Approved
0.8686 High Similarity NPD1529 Clinical (unspecified phase)
0.8623 High Similarity NPD3027 Phase 3
0.8613 High Similarity NPD1530 Clinical (unspecified phase)
0.8444 Intermediate Similarity NPD1091 Approved
0.8333 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8313 Intermediate Similarity NPD7054 Approved
0.8261 Intermediate Similarity NPD7472 Approved
0.8261 Intermediate Similarity NPD7074 Phase 3
0.825 Intermediate Similarity NPD3818 Discontinued
0.8098 Intermediate Similarity NPD6797 Phase 2
0.8095 Intermediate Similarity NPD7266 Discontinued
0.8049 Intermediate Similarity NPD7251 Discontinued
0.8 Intermediate Similarity NPD7808 Phase 3
0.7987 Intermediate Similarity NPD6674 Discontinued
0.7975 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7958 Intermediate Similarity NPD2861 Phase 2
0.7949 Intermediate Similarity NPD1934 Approved
0.7925 Intermediate Similarity NPD6234 Discontinued
0.7914 Intermediate Similarity NPD7228 Approved
0.7914 Intermediate Similarity NPD1610 Phase 2
0.7911 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7902 Intermediate Similarity NPD4908 Phase 1
0.7898 Intermediate Similarity NPD2801 Approved
0.7883 Intermediate Similarity NPD1548 Phase 1
0.7834 Intermediate Similarity NPD37 Approved
0.7832 Intermediate Similarity NPD3018 Phase 2
0.7826 Intermediate Similarity NPD7199 Phase 2
0.7799 Intermediate Similarity NPD4965 Approved
0.7799 Intermediate Similarity NPD4966 Approved
0.7799 Intermediate Similarity NPD4967 Phase 2
0.7793 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD6166 Phase 2
0.7791 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7676 Intermediate Similarity NPD2983 Phase 2
0.7676 Intermediate Similarity NPD2982 Phase 2
0.7622 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD6559 Discontinued
0.7606 Intermediate Similarity NPD2981 Phase 2
0.7571 Intermediate Similarity NPD1357 Approved
0.7548 Intermediate Similarity NPD1511 Approved
0.7545 Intermediate Similarity NPD5844 Phase 1
0.7545 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD3705 Approved
0.7516 Intermediate Similarity NPD3817 Phase 2
0.7483 Intermediate Similarity NPD4625 Phase 3
0.7469 Intermediate Similarity NPD3882 Suspended
0.7456 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD3787 Discontinued
0.7453 Intermediate Similarity NPD8455 Phase 2
0.7452 Intermediate Similarity NPD1512 Approved
0.7432 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD4749 Approved
0.7423 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD6190 Approved
0.7412 Intermediate Similarity NPD7240 Approved
0.7407 Intermediate Similarity NPD5402 Approved
0.7403 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD1652 Phase 2
0.7375 Intermediate Similarity NPD4380 Phase 2
0.7372 Intermediate Similarity NPD228 Approved
0.7372 Intermediate Similarity NPD5058 Phase 3
0.7346 Intermediate Similarity NPD1465 Phase 2
0.7315 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7685 Pre-registration
0.731 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD6671 Approved
0.7278 Intermediate Similarity NPD3751 Discontinued
0.7273 Intermediate Similarity NPD3540 Phase 1
0.7267 Intermediate Similarity NPD4675 Approved
0.7267 Intermediate Similarity NPD4678 Approved
0.7259 Intermediate Similarity NPD968 Approved
0.7239 Intermediate Similarity NPD2977 Approved
0.7239 Intermediate Similarity NPD2978 Approved
0.7233 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD5494 Approved
0.7219 Intermediate Similarity NPD4060 Phase 1
0.7219 Intermediate Similarity NPD1558 Phase 1
0.7215 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD7075 Discontinued
0.7208 Intermediate Similarity NPD3539 Phase 1
0.7206 Intermediate Similarity NPD290 Approved
0.719 Intermediate Similarity NPD4538 Approved
0.719 Intermediate Similarity NPD4536 Approved
0.719 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD422 Phase 1
0.7171 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD5124 Phase 1
0.7168 Intermediate Similarity NPD7549 Discontinued
0.7161 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD6843 Phase 3
0.7159 Intermediate Similarity NPD6842 Approved
0.7159 Intermediate Similarity NPD6841 Approved
0.7152 Intermediate Similarity NPD6233 Phase 2
0.7143 Intermediate Similarity NPD5960 Phase 3
0.7143 Intermediate Similarity NPD5588 Approved
0.7143 Intermediate Similarity NPD5283 Phase 1
0.7143 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD1549 Phase 2
0.7107 Intermediate Similarity NPD7213 Phase 3
0.7107 Intermediate Similarity NPD7212 Phase 2
0.7105 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD3620 Phase 2
0.7097 Intermediate Similarity NPD3454 Phase 3
0.7091 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7088 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD5403 Approved
0.7073 Intermediate Similarity NPD3382 Approved
0.7073 Intermediate Similarity NPD3383 Approved
0.7073 Intermediate Similarity NPD3384 Approved
0.7071 Intermediate Similarity NPD7843 Approved
0.707 Intermediate Similarity NPD5177 Phase 3
0.7063 Intermediate Similarity NPD7447 Phase 1
0.7042 Intermediate Similarity NPD7157 Approved
0.7041 Intermediate Similarity NPD6232 Discontinued
0.703 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD2684 Approved
0.7027 Intermediate Similarity NPD7680 Approved
0.7027 Intermediate Similarity NPD8651 Approved
0.6994 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6986 Remote Similarity NPD3496 Discontinued
0.6981 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6981 Remote Similarity NPD2677 Approved
0.6974 Remote Similarity NPD6798 Discontinued
0.697 Remote Similarity NPD6801 Discontinued
0.6968 Remote Similarity NPD7097 Phase 1
0.6968 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6962 Remote Similarity NPD3060 Approved
0.6957 Remote Similarity NPD5401 Approved
0.6957 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6957 Remote Similarity NPD4123 Phase 3
0.6957 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6948 Remote Similarity NPD1933 Approved
0.6948 Remote Similarity NPD230 Phase 1
0.6944 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6943 Remote Similarity NPD1375 Discontinued
0.6933 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6932 Remote Similarity NPD8312 Approved
0.6932 Remote Similarity NPD8313 Approved
0.6928 Remote Similarity NPD7819 Suspended
0.6927 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6919 Remote Similarity NPD7473 Discontinued
0.6918 Remote Similarity NPD6516 Phase 2
0.6918 Remote Similarity NPD3892 Phase 2
0.6918 Remote Similarity NPD5846 Approved
0.6918 Remote Similarity NPD3750 Approved
0.691 Remote Similarity NPD4663 Approved
0.6909 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6894 Remote Similarity NPD1774 Approved
0.6894 Remote Similarity NPD6799 Approved
0.6894 Remote Similarity NPD4357 Discontinued
0.6893 Remote Similarity NPD8054 Approved
0.6893 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6893 Remote Similarity NPD8053 Approved
0.689 Remote Similarity NPD4005 Discontinued
0.6889 Remote Similarity NPD1242 Phase 1
0.6886 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6879 Remote Similarity NPD1551 Phase 2
0.6879 Remote Similarity NPD6100 Approved
0.6879 Remote Similarity NPD6099 Approved
0.6872 Remote Similarity NPD7906 Approved
0.6857 Remote Similarity NPD3021 Approved
0.6857 Remote Similarity NPD3022 Approved
0.6855 Remote Similarity NPD4162 Approved
0.6855 Remote Similarity NPD4236 Phase 3
0.6855 Remote Similarity NPD4237 Approved
0.6839 Remote Similarity NPD4340 Discontinued
0.6839 Remote Similarity NPD6355 Discontinued
0.6838 Remote Similarity NPD291 Approved
0.6835 Remote Similarity NPD5762 Approved
0.6835 Remote Similarity NPD5763 Approved
0.6829 Remote Similarity NPD3686 Approved
0.6829 Remote Similarity NPD3687 Approved
0.6828 Remote Similarity NPD5536 Phase 2
0.6824 Remote Similarity NPD5677 Discontinued
0.6821 Remote Similarity NPD6584 Phase 3
0.6815 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6815 Remote Similarity NPD4108 Discontinued
0.6815 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6815 Remote Similarity NPD1510 Phase 2
0.6815 Remote Similarity NPD7033 Discontinued
0.6813 Remote Similarity NPD4628 Phase 3
0.6813 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6807 Remote Similarity NPD7411 Suspended
0.6803 Remote Similarity NPD5125 Phase 3
0.6803 Remote Similarity NPD5126 Approved
0.68 Remote Similarity NPD3225 Approved
0.6797 Remote Similarity NPD7095 Approved
0.6792 Remote Similarity NPD2424 Discontinued
0.6784 Remote Similarity NPD6959 Discontinued
0.6779 Remote Similarity NPD2231 Phase 2
0.6779 Remote Similarity NPD2235 Phase 2
0.6772 Remote Similarity NPD2935 Discontinued

Structure

External Identifiers

PubChem CID   5321884
ChEMBL   CHEMBL460860
ZINC  

Physicochemical Properties

Molecular Weight:  406.13
ALogP:  -3.1203
MLogP:  2.67
XLogP:  1.154
# Rotatable Bonds:  12
Polar Surface Area:  160.07
# H-Bond Aceptor:  5
# H-Bond Donor:  7
# Rings:  3
# Heavy Atoms:  29

Download Data

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