Natural Product: NPC117579

Natural Product ID:  NPC117579
Common Name:   Decussatin
IUPAC Name:   8-hydroxy-1,2,6-trimethoxyxanthen-9-one
Synonyms:   Decussatin
Molecular Formula:   C16H14O6
Standard InCHIKey:  VYRIGRQQKUZPEX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H14O6/c1-19-8-6-9(17)13-12(7-8)22-10-4-5-11(20-2)16(21-3)14(10)15(13)18/h4-7,17H,1-3H3
Canonical SMILES:  COc1cc(O)c2c(c1)oc1c(c2=O)c(OC)c(cc1)OC
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
NPO2446 Gentiana verna Species Gentianaceae Eukaryota DOI[10.1016/S0021-9673(00)89757-5]
NPO26420 Swertia perennis Species Gentianaceae Eukaryota PMID[931752]
NPO26491 Swertia nervosa Species Gentianaceae Eukaryota PMID[4472648]
NPO2743 Swertia purpurascens Species Gentianaceae Eukaryota PMID[1133711]
NPO27521 Swertia iberica Species Gentianaceae Eukaryota Zhiwu Xuebao,1992,34: 886
NPO2806 Gentiana nivalis Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)94333-4]
NPO28551 Centaurium erythraea Species Gentianaceae Eukaryota DOI[10.1021/np50044a037]
NPO29896 Gentiana ciliata Species Gentianaceae Eukaryota Bull. Mus. Hist. Nat. (Paris),1976,10: 45
NPO29902 Gentiana tenella Species Gentianaceae Eukaryota Bull. Mus. Hist. Nat. (Paris),1977,12: 23
NPO30126 Swertia lawii Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)98635-7]
NPO30183 Swertia racemosa Species Gentianaceae Eukaryota PMID[4472648]
NPO30223 Swertia chirata Species Gentianaceae Eukaryota Leather Sci.,1973,20: 132
NPO22057 Gentiana kochiana Species Gentianaceae Eukaryota PMID[18406151]
NPO30581 Swertia perfoliata Species Gentianaceae Eukaryota Fitoterapia,1981,52: 5
NPO11789 Swertia decussata Species Gentianaceae Eukaryota PMID[16286309]
NPO30741 Gentiana schleicheri Species Gentianaceae Eukaryota DOI[10.1016/S0021-9673(00)89757-5]
NPO1186 Comastoma pulmonarium Species Gentianaceae Eukaryota Zhiwu Xuebao,1988,30: 303
NPO30789 Eustoma grandiflorum Species Gentianaceae Eukaryota PMID[559754]
NPO12166 Gentiana bavarica Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)86673-X]
NPO30871 Orphium frutescens Species Gentianaceae Eukaryota Journal of Plant Physiology,1992,139: 632
NPO1238 Gentiana brachyphylla Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)94333-4]
NPO31011 Centaurium linariifolium Species Gentianaceae Eukaryota DOI[10.1021/np50042a027]
NPO1362 Swertia paniculata Species Gentianaceae Eukaryota Planta Med.,1982,45: 61
NPO31064 Gentiana favratii Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)94333-4]
NPO13785 Gentiana utriculosa Species Gentianaceae Eukaryota DOI[10.1016/S0021-9673(00)89757-5]
NPO31075 Gentiana detonsa Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)84162-X]
NPO14238 Swertia punicea Species Gentianaceae Eukaryota DOI[10.1021/np50072a022]
NPO31260 Swertia gracilescens Species Gentianaceae Eukaryota PMID[4472648]
NPO14781 Anthocleista vogelii Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)97499-5]
NPO31357 Gentiana barbata Species Gentianaceae Eukaryota DOI[10.1007/BF00629774]
NPO15376 Gentiana ramosa Species Gentianaceae Eukaryota Bull. Mus. Hist. Nat. (Paris),1977,12: 23
NPO31418 Gentiana rostanii Species Gentianaceae Eukaryota DOI[10.1016/S0021-9673(00)89757-5]
NPO19150 Swertia hookeri Species Gentianaceae Eukaryota DOI[10.1016/0031-9422(80)85027-8]
NPO31453 Swertia mileensis Species Gentianaceae Eukaryota Yunnan Zhiwu Yanjiu,1982,4: 68
NPO19645 Chironia krebsii Species Gentianaceae Eukaryota DOI[10.1016/0031-9422(91)80080-K]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota TCM_Taiwan*
NPO19705 Gentianella campestris Species Gentianaceae Eukaryota Bull. Mus. Hist. Nat. (Paris),1977,12: 23
NPO456 Swertia dilatata Species Gentianaceae Eukaryota PMID[4472648]
NPO20737 Centaurium cachanlahuen Species Gentianaceae Eukaryota DOI[10.1007/BF01972262]
NPO6082 Centaurium pulchellum Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)83457-3]
NPO21803 Gentianopsis paludosa Species Gentianaceae Eukaryota Chung TsaoYao,1980,11: 149
NPO6601 Canscora decussata Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)89890-8]
NPO21898 Swertia petiolata Species Gentianaceae Eukaryota Fitoterapia,1981,52: 5
NPO927 Swertia mussotii Species Gentianaceae Eukaryota Chemical Abstracts,1982,96: 119014
NPO22057 Gentiana kochiana Species Gentianaceae Eukaryota Acad. Sci. Paris,1968,267: 423
NPO9389 Swertia bimaculata Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)98635-7]
NPO22457 Swertia calycina Species Gentianaceae Eukaryota DOI[10.1002/cbdv.200490123]
NPO29696 Swertiae mileensis herba NA NA NA TCMSP*
NPO23163 Schultesia lisianthoides Species Gentianaceae Eukaryota DOI[10.1016/0031-9422(95)00483-N]
NPO24069 Swertia patens Species Gentianaceae Eukaryota Yunnan Zhiwu Yanjiu,1984,6: 341

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Kd = 28800 nM 10890160
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 19000 nM 15482934
NPT76 Cell Line C6 Rattus norvegicus IC50 > 100000 nM 18406151
NPT380 Cell Line U-251 Homo sapiens IC50 > 100000 nM 18406151

  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 NPC117579 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
0.9862 High Similarity NPC149614
0.9796 High Similarity NPC472909
0.9796 High Similarity NPC37392
0.9795 High Similarity NPC180234
0.9795 High Similarity NPC120537
0.9795 High Similarity NPC199100
0.9793 High Similarity NPC179183
0.9793 High Similarity NPC306821
0.973 High Similarity NPC255106
0.973 High Similarity NPC235165
0.9728 High Similarity NPC292214
0.9728 High Similarity NPC472915
0.9728 High Similarity NPC88645
0.9728 High Similarity NPC167091
0.9728 High Similarity NPC271779
0.9728 High Similarity NPC206238
0.9726 High Similarity NPC208043
0.9726 High Similarity NPC226973
0.9664 High Similarity NPC472914
0.9664 High Similarity NPC48208
0.9664 High Similarity NPC474208
0.9664 High Similarity NPC96167
0.9664 High Similarity NPC472913
0.9664 High Similarity NPC475267
0.9664 High Similarity NPC474836
0.9664 High Similarity NPC472911
0.9664 High Similarity NPC472910
0.9664 High Similarity NPC181960
0.9664 High Similarity NPC245758
0.9664 High Similarity NPC222814
0.9664 High Similarity NPC99597
0.9664 High Similarity NPC162869
0.9664 High Similarity NPC78225
0.9664 High Similarity NPC156057
0.9664 High Similarity NPC210084
0.9662 High Similarity NPC2928
0.966 High Similarity NPC301323
0.966 High Similarity NPC275722
0.966 High Similarity NPC293183
0.966 High Similarity NPC83508
0.966 High Similarity NPC161277
0.966 High Similarity NPC301123
0.966 High Similarity NPC162313
0.966 High Similarity NPC275836
0.966 High Similarity NPC256283
0.966 High Similarity NPC57030
0.966 High Similarity NPC25270
0.966 High Similarity NPC241498
0.966 High Similarity NPC198826
0.966 High Similarity NPC239128
0.966 High Similarity NPC100887
0.966 High Similarity NPC120163
0.966 High Similarity NPC187498
0.966 High Similarity NPC101996
0.966 High Similarity NPC131624
0.966 High Similarity NPC71334
0.966 High Similarity NPC212678
0.966 High Similarity NPC39007
0.966 High Similarity NPC222830
0.966 High Similarity NPC188203
0.966 High Similarity NPC156222
0.9658 High Similarity NPC61620
0.9658 High Similarity NPC62042
0.96 High Similarity NPC152904
0.9597 High Similarity NPC68093
0.9597 High Similarity NPC472916
0.9597 High Similarity NPC191146
0.9595 High Similarity NPC274327
0.9595 High Similarity NPC183878
0.9595 High Similarity NPC145379
0.9595 High Similarity NPC160951
0.9595 High Similarity NPC86485
0.9595 High Similarity NPC255350
0.9595 High Similarity NPC176775
0.9595 High Similarity NPC280937
0.9595 High Similarity NPC231018
0.9595 High Similarity NPC47781
0.9595 High Similarity NPC22519
0.9595 High Similarity NPC69394
0.9592 High Similarity NPC308451
0.9592 High Similarity NPC251110
0.9592 High Similarity NPC171010
0.9589 High Similarity NPC328119
0.9586 High Similarity NPC46941
0.9586 High Similarity NPC12200
0.9536 High Similarity NPC263449
0.9533 High Similarity NPC217677
0.9533 High Similarity NPC36852
0.9533 High Similarity NPC476981
0.9533 High Similarity NPC469584
0.9533 High Similarity NPC262286
0.9533 High Similarity NPC165977
0.9533 High Similarity NPC300727
0.9533 High Similarity NPC241904
0.953 High Similarity NPC44079
0.953 High Similarity NPC92659
0.953 High Similarity NPC146165
0.953 High Similarity NPC32557
0.953 High Similarity NPC2476
0.953 High Similarity NPC201136
0.953 High Similarity NPC128863
0.953 High Similarity NPC256612
0.953 High Similarity NPC213622
0.953 High Similarity NPC50715
0.953 High Similarity NPC138360
0.953 High Similarity NPC183597
0.953 High Similarity NPC201451
0.953 High Similarity NPC196439
0.953 High Similarity NPC163780
0.953 High Similarity NPC167815
0.953 High Similarity NPC31018
0.953 High Similarity NPC227325
0.953 High Similarity NPC255807
0.953 High Similarity NPC4455
0.953 High Similarity NPC26227
0.953 High Similarity NPC20830
0.953 High Similarity NPC189960
0.953 High Similarity NPC280339
0.9527 High Similarity NPC219582
0.9527 High Similarity NPC236637
0.9527 High Similarity NPC142540
0.9527 High Similarity NPC302950
0.9524 High Similarity NPC338131
0.9524 High Similarity NPC248102
0.9524 High Similarity NPC184136
0.9524 High Similarity NPC29231
0.9524 High Similarity NPC156953
0.9521 High Similarity NPC63256
0.9521 High Similarity NPC276930
0.9521 High Similarity NPC10304
0.9521 High Similarity NPC195202
0.9517 High Similarity NPC231013
0.9474 High Similarity NPC266314
0.9474 High Similarity NPC474187
0.9474 High Similarity NPC308992
0.947 High Similarity NPC250214
0.947 High Similarity NPC95936
0.947 High Similarity NPC476242
0.9467 High Similarity NPC178854
0.9467 High Similarity NPC274730
0.9467 High Similarity NPC266960
0.9467 High Similarity NPC49824
0.9467 High Similarity NPC303255
0.9467 High Similarity NPC245546
0.9467 High Similarity NPC138243
0.9467 High Similarity NPC247017
0.9467 High Similarity NPC98661
0.9467 High Similarity NPC43243
0.9463 High Similarity NPC250822
0.9463 High Similarity NPC18727
0.9463 High Similarity NPC75279
0.9463 High Similarity NPC276409
0.9459 High Similarity NPC204515
0.9459 High Similarity NPC262623
0.9459 High Similarity NPC31363
0.9456 High Similarity NPC183950
0.9456 High Similarity NPC238366
0.9456 High Similarity NPC294502
0.9456 High Similarity NPC159103
0.9456 High Similarity NPC137062
0.9456 High Similarity NPC17286
0.9456 High Similarity NPC296197
0.9456 High Similarity NPC287101
0.9456 High Similarity NPC223579
0.9456 High Similarity NPC200221
0.9456 High Similarity NPC52005
0.9456 High Similarity NPC216318
0.9456 High Similarity NPC259713
0.9452 High Similarity NPC33265
0.9452 High Similarity NPC93034
0.9452 High Similarity NPC62536
0.9452 High Similarity NPC119660
0.9448 High Similarity NPC472917
0.9412 High Similarity NPC472448
0.9412 High Similarity NPC229632
0.9412 High Similarity NPC83922
0.9408 High Similarity NPC14353
0.9408 High Similarity NPC56085
0.9408 High Similarity NPC139036
0.9408 High Similarity NPC475886
0.9408 High Similarity NPC476980
0.9408 High Similarity NPC204290
0.9408 High Similarity NPC228785
0.9408 High Similarity NPC474287
0.9404 High Similarity NPC299520
0.9404 High Similarity NPC93376
0.9404 High Similarity NPC223787
0.9404 High Similarity NPC189179
0.9404 High Similarity NPC75215
0.9404 High Similarity NPC470402
0.9404 High Similarity NPC163524
0.9404 High Similarity NPC101830
0.9404 High Similarity NPC305663
0.9404 High Similarity NPC110070
0.9404 High Similarity NPC129684
0.9404 High Similarity NPC287979
0.9404 High Similarity NPC176665
0.9404 High Similarity NPC224137
0.9404 High Similarity NPC227192
0.9404 High Similarity NPC203891

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC117579 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
0.9595 High Similarity NPD2801 Approved
0.9527 High Similarity NPD1934 Approved
0.9205 High Similarity NPD2393 Clinical (unspecified phase)
0.9116 High Similarity NPD1511 Approved
0.8993 High Similarity NPD1512 Approved
0.8961 High Similarity NPD3882 Suspended
0.8924 High Similarity NPD6168 Clinical (unspecified phase)
0.8924 High Similarity NPD6167 Clinical (unspecified phase)
0.8924 High Similarity NPD6166 Phase 2
0.891 High Similarity NPD5494 Approved
0.8836 High Similarity NPD1552 Clinical (unspecified phase)
0.8836 High Similarity NPD1550 Clinical (unspecified phase)
0.88 High Similarity NPD4378 Clinical (unspecified phase)
0.8776 High Similarity NPD1549 Phase 2
0.8774 High Similarity NPD3817 Phase 2
0.8704 High Similarity NPD7074 Phase 3
0.8696 High Similarity NPD3818 Discontinued
0.8659 High Similarity NPD4338 Clinical (unspecified phase)
0.8642 High Similarity NPD7054 Approved
0.8599 High Similarity NPD4868 Clinical (unspecified phase)
0.8589 High Similarity NPD7472 Approved
0.8571 High Similarity NPD1510 Phase 2
0.8562 High Similarity NPD6232 Discontinued
0.8552 High Similarity NPD1240 Approved
0.8519 High Similarity NPD7473 Discontinued
0.8516 High Similarity NPD4380 Phase 2
0.8435 Intermediate Similarity NPD1607 Approved
0.8434 Intermediate Similarity NPD7808 Phase 3
0.8428 Intermediate Similarity NPD7075 Discontinued
0.8428 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8424 Intermediate Similarity NPD6797 Phase 2
0.8415 Intermediate Similarity NPD5844 Phase 1
0.8389 Intermediate Similarity NPD2796 Approved
0.8385 Intermediate Similarity NPD1247 Approved
0.8373 Intermediate Similarity NPD7251 Discontinued
0.8354 Intermediate Similarity NPD7819 Suspended
0.8354 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD1465 Phase 2
0.8312 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8302 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8299 Intermediate Similarity NPD943 Approved
0.8247 Intermediate Similarity NPD6799 Approved
0.8228 Intermediate Similarity NPD7411 Suspended
0.8187 Intermediate Similarity NPD5402 Approved
0.8171 Intermediate Similarity NPD3926 Phase 2
0.816 Intermediate Similarity NPD6959 Discontinued
0.8158 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8151 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8146 Intermediate Similarity NPD2935 Discontinued
0.8121 Intermediate Similarity NPD447 Suspended
0.8105 Intermediate Similarity NPD2800 Approved
0.8095 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8086 Intermediate Similarity NPD3749 Approved
0.8084 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8082 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8063 Intermediate Similarity NPD6801 Discontinued
0.8054 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8054 Intermediate Similarity NPD1613 Approved
0.8052 Intermediate Similarity NPD3750 Approved
0.805 Intermediate Similarity NPD6599 Discontinued
0.8037 Intermediate Similarity NPD919 Approved
0.7975 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD6559 Discontinued
0.7908 Intermediate Similarity NPD1551 Phase 2
0.7904 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7881 Intermediate Similarity NPD230 Phase 1
0.7881 Intermediate Similarity NPD1933 Approved
0.7857 Intermediate Similarity NPD2344 Approved
0.7848 Intermediate Similarity NPD2533 Approved
0.7848 Intermediate Similarity NPD2532 Approved
0.7848 Intermediate Similarity NPD2534 Approved
0.7805 Intermediate Similarity NPD7768 Phase 2
0.78 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD6100 Approved
0.7792 Intermediate Similarity NPD6099 Approved
0.7785 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD3226 Approved
0.7756 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD920 Approved
0.775 Intermediate Similarity NPD5403 Approved
0.7742 Intermediate Similarity NPD2346 Discontinued
0.7736 Intermediate Similarity NPD5401 Approved
0.7735 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD3027 Phase 3
0.7727 Intermediate Similarity NPD3748 Approved
0.7727 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7706 Intermediate Similarity NPD3751 Discontinued
0.7682 Intermediate Similarity NPD2313 Discontinued
0.7658 Intermediate Similarity NPD2309 Approved
0.7643 Intermediate Similarity NPD1243 Approved
0.7627 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD7199 Phase 2
0.7613 Intermediate Similarity NPD2799 Discontinued
0.76 Intermediate Similarity NPD9494 Approved
0.7597 Intermediate Similarity NPD6651 Approved
0.7595 Intermediate Similarity NPD4628 Phase 3
0.7593 Intermediate Similarity NPD1653 Approved
0.7584 Intermediate Similarity NPD1203 Approved
0.7574 Intermediate Similarity NPD3787 Discontinued
0.7572 Intermediate Similarity NPD5953 Discontinued
0.7558 Intermediate Similarity NPD7286 Phase 2
0.7551 Intermediate Similarity NPD1610 Phase 2
0.7551 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD4908 Phase 1
0.7542 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD37 Approved
0.75 Intermediate Similarity NPD6234 Discontinued
0.75 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD4965 Approved
0.7485 Intermediate Similarity NPD4966 Approved
0.7485 Intermediate Similarity NPD4967 Phase 2
0.7484 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD7390 Discontinued
0.7451 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD6190 Approved
0.7427 Intermediate Similarity NPD5242 Approved
0.7419 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD6844 Discontinued
0.7397 Intermediate Similarity NPD1548 Phase 1
0.7383 Intermediate Similarity NPD1608 Approved
0.7383 Intermediate Similarity NPD9717 Approved
0.7368 Intermediate Similarity NPD5711 Approved
0.7368 Intermediate Similarity NPD2861 Phase 2
0.7368 Intermediate Similarity NPD5710 Approved
0.7338 Intermediate Similarity NPD3268 Approved
0.7321 Intermediate Similarity NPD5353 Approved
0.732 Intermediate Similarity NPD6832 Phase 2
0.7315 Intermediate Similarity NPD422 Phase 1
0.7303 Intermediate Similarity NPD2798 Approved
0.7301 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD7228 Approved
0.7283 Intermediate Similarity NPD2403 Approved
0.7278 Intermediate Similarity NPD7033 Discontinued
0.7278 Intermediate Similarity NPD4308 Phase 3
0.7273 Intermediate Similarity NPD4625 Phase 3
0.7268 Intermediate Similarity NPD4360 Phase 2
0.7268 Intermediate Similarity NPD4363 Phase 3
0.7267 Intermediate Similarity NPD9269 Phase 2
0.7258 Intermediate Similarity NPD6781 Approved
0.7258 Intermediate Similarity NPD6780 Approved
0.7258 Intermediate Similarity NPD6779 Approved
0.7258 Intermediate Similarity NPD6776 Approved
0.7258 Intermediate Similarity NPD6777 Approved
0.7258 Intermediate Similarity NPD6778 Approved
0.7258 Intermediate Similarity NPD6782 Approved
0.7255 Intermediate Similarity NPD3018 Phase 2
0.7247 Intermediate Similarity NPD8312 Approved
0.7247 Intermediate Similarity NPD8313 Approved
0.7246 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6386 Approved
0.7246 Intermediate Similarity NPD6385 Approved
0.7239 Intermediate Similarity NPD4357 Discontinued
0.7237 Intermediate Similarity NPD2797 Approved
0.7237 Intermediate Similarity NPD1470 Approved
0.7232 Intermediate Similarity NPD7685 Pre-registration
0.723 Intermediate Similarity NPD9268 Approved
0.7226 Intermediate Similarity NPD411 Approved
0.7222 Intermediate Similarity NPD8434 Phase 2
0.7219 Intermediate Similarity NPD4749 Approved
0.7211 Intermediate Similarity NPD5536 Phase 2
0.7205 Intermediate Similarity NPD2654 Approved
0.72 Intermediate Similarity NPD1201 Approved
0.7191 Intermediate Similarity NPD7549 Discontinued
0.7181 Intermediate Similarity NPD17 Approved
0.7179 Intermediate Similarity NPD6233 Phase 2
0.7171 Intermediate Similarity NPD3225 Approved
0.7168 Intermediate Similarity NPD7229 Phase 3
0.7152 Intermediate Similarity NPD1481 Phase 2
0.7152 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7696 Phase 3
0.7143 Intermediate Similarity NPD7697 Approved
0.7143 Intermediate Similarity NPD7435 Discontinued
0.7143 Intermediate Similarity NPD4287 Approved
0.7143 Intermediate Similarity NPD7698 Approved
0.7127 Intermediate Similarity NPD8150 Discontinued
0.7124 Intermediate Similarity NPD3266 Approved
0.7124 Intermediate Similarity NPD3267 Approved
0.7118 Intermediate Similarity NPD4288 Approved
0.7118 Intermediate Similarity NPD2296 Approved
0.7115 Intermediate Similarity NPD3764 Approved
0.7115 Intermediate Similarity NPD6798 Discontinued
0.7105 Intermediate Similarity NPD7870 Phase 2
0.7105 Intermediate Similarity NPD2983 Phase 2
0.7105 Intermediate Similarity NPD2982 Phase 2
0.7105 Intermediate Similarity NPD7871 Phase 2
0.7097 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD1535 Discovery
0.7081 Intermediate Similarity NPD1471 Phase 3
0.7076 Intermediate Similarity NPD5019 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD6671 Approved
0.7071 Intermediate Similarity NPD2899 Discontinued
0.7062 Intermediate Similarity NPD7782 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5378284
ChEMBL   CHEMBL26323
ZINC  

Physicochemical Properties

Molecular Weight:  302.08
ALogP:  -1.0336
MLogP:  2.56
XLogP:  1.208
# Rotatable Bonds:  7
Polar Surface Area:  74.22
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  22

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General Info & Identifiers & Properties  
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