Natural Product: NPC61620

Natural Product ID:  NPC61620
Common Name:   Demethylbellidifolin
IUPAC Name:   1,3,5,8-tetrahydroxyxanthen-9-one
Synonyms:   Bellidin; Demethylbellidifolin
Molecular Formula:   C13H8O6
Standard InCHIKey:  MPXAWSABMVLIBU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
Canonical SMILES:  Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O
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
NPO28252 Lophozia barbata Species Scapaniaceae Eukaryota UNPD*
NPO28852 Euphorbia makinoi Species Euphorbiaceae Eukaryota UNPD*
NPO28996 Caloglossa leprieurii Species Delesseriaceae Eukaryota UNPD*
NPO28793 Wettsteinia inversa Species Adelanthaceae Eukaryota UNPD*
NPO28020 Hypaphorus subumbrans NA NA NA UNPD*
NPO28586 Pyrus calleryana Species Rosaceae Eukaryota UNPD*
NPO15376 Gentiana ramosa Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)89285-7]
NPO16277 Swertia davidi Species Gentianaceae Eukaryota PMID[15234768]
NPO17509 Gentiana bellidifolia Species Gentianaceae Eukaryota DOI[10.1016/S0040-4020(01)98434-0]
NPO19150 Swertia hookeri Species Gentianaceae Eukaryota DOI[10.1016/0031-9422(80)85027-8]
NPO19705 Gentianella campestris Species Gentianaceae Eukaryota PMID[15490334]
NPO22457 Swertia calycina Species Gentianaceae Eukaryota TCM_Taiwan*
NPO2355 Swertia macrosperma Species Gentianaceae Eukaryota DOI[10.1016/0031-9422(89)80400-5]
NPO26491 Swertia nervosa Species Gentianaceae Eukaryota YAKUGAKU ZASSHI,1974,94: 647
NPO2743 Swertia purpurascens Species Gentianaceae Eukaryota PMID[1133711]
NPO28011 Swertia japonica Species Gentianaceae Eukaryota DOI[10.1007/BF02675902]
NPO30126 Swertia lawii Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)98635-7]
NPO30183 Swertia racemosa Species Gentianaceae Eukaryota YAKUGAKU ZASSHI,1974,94: 647
NPO30223 Swertia chirata Species Gentianaceae Eukaryota PMID[4712626]
NPO30432 Swertia erythrosticum Species Gentianaceae Eukaryota Zhiwu Xuebao,1992,34: 886
NPO28417 Monnina emarginata Species Polygalaceae Eukaryota UNPD*
NPO30433 Gentiana lacteal Species Gentianaceae Eukaryota PMID[3174858]
NPO28094 Consolida oliveriana Species Ranunculaceae Eukaryota UNPD*
NPO31193 Gentiana campestris Species Gentianaceae Eukaryota TCM_Taiwan*
NPO32688 gentianella amarella ssp. acuta Species Gentianaceae Eukaryota PMID[18336006]
NPO31260 Swertia gracilescens Species Gentianaceae Eukaryota YAKUGAKU ZASSHI,1974,94: 647
NPO22057 Gentiana kochiana Species Gentianaceae Eukaryota PMID[18406151]
NPO3175 Iris nigricans Species Iridaceae Eukaryota DOI[10.1016/0031-9422(94)00641-6]
NPO27923 Calophyllum apetalum Species Calophyllaceae Eukaryota UNPD*
NPO456 Swertia dilatata Species Gentianaceae Eukaryota YAKUGAKU ZASSHI,1974,94: 647
NPO28457 Siler trilobum Species Salticidae Eukaryota UNPD*
NPO8511 Gentiana strictiflora Species Gentianaceae Eukaryota DOI[10.1016/S0031-9422(00)84162-X]
NPO28532 Streptomyces gougerotii Species Streptomycetaceae Bacteria UNPD*
NPO29129 Rhodiola heterodonta Species Crassulaceae Eukaryota UNPD*
NPO19861 Drypetes molunduana Species Putranjivaceae Eukaryota UNPD*
NPO20828 Swertia leducii Species Gentianaceae Eukaryota TM-MC*
NPO28149 Polygala fallax Species Polygalaceae Eukaryota UNPD*
NPO28502 Rhabdastrella globostellata Species Ancorinidae Eukaryota UNPD*
NPO28366 Cladonia furcata Species Cladoniaceae Eukaryota UNPD*
NPO20937 Heterocapsa niei Species Heterocapsaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 13000 nM 15482934
NPT76 Cell Line C6 Rattus norvegicus IC50 > 100000 nM 18406151
NPT380 Cell Line U-251 Homo sapiens IC50 > 100000 nM 18406151
NPT2 Others Unspecified IC50 > 50000 nM 18406151
NPT204 Individual Protein Acetylcholinesterase Homo sapiens Inhibition = 17.5 % 18336006
NPT261 Individual Protein Monoamine oxidase A Homo sapiens Inhibition = 90.5 % 18336006
NPT582 Individual Protein Monoamine oxidase B Homo sapiens Inhibition = 59 % 18336006
NPT1509 Protein Complex Cyclin-dependent kinase 5/CDK5 activator 1 Homo sapiens IC50 = 200 nM 21353545

  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 NPC61620 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
0.9931 High Similarity NPC251110
0.9862 High Similarity NPC199100
0.9862 High Similarity NPC180234
0.9862 High Similarity NPC120537
0.9861 High Similarity NPC248102
0.986 High Similarity NPC276930
0.9795 High Similarity NPC167091
0.9795 High Similarity NPC271779
0.9795 High Similarity NPC206238
0.9795 High Similarity NPC88645
0.9795 High Similarity NPC292214
0.9792 High Similarity NPC296197
0.9792 High Similarity NPC259713
0.9792 High Similarity NPC17286
0.9792 High Similarity NPC216318
0.9726 High Similarity NPC161277
0.9726 High Similarity NPC101996
0.9726 High Similarity NPC39007
0.9724 High Similarity NPC62042
0.9724 High Similarity NPC45873
0.9722 High Similarity NPC272721
0.9722 High Similarity NPC194856
0.9722 High Similarity NPC196277
0.9722 High Similarity NPC43669
0.9662 High Similarity NPC191146
0.9662 High Similarity NPC255106
0.9662 High Similarity NPC68093
0.9662 High Similarity NPC235165
0.9658 High Similarity NPC171010
0.9658 High Similarity NPC149614
0.9658 High Similarity NPC117579
0.9658 High Similarity NPC204515
0.9658 High Similarity NPC225731
0.9653 High Similarity NPC239312
0.9653 High Similarity NPC130230
0.9653 High Similarity NPC275772
0.9653 High Similarity NPC207729
0.9653 High Similarity NPC77378
0.9597 High Similarity NPC48208
0.9597 High Similarity NPC472910
0.9597 High Similarity NPC96167
0.9597 High Similarity NPC78225
0.9597 High Similarity NPC474836
0.9597 High Similarity NPC99597
0.9597 High Similarity NPC472913
0.9597 High Similarity NPC162869
0.9597 High Similarity NPC474208
0.9597 High Similarity NPC472914
0.9597 High Similarity NPC210084
0.9597 High Similarity NPC245758
0.9597 High Similarity NPC472911
0.9597 High Similarity NPC475267
0.9597 High Similarity NPC156057
0.9597 High Similarity NPC222814
0.9595 High Similarity NPC2928
0.9592 High Similarity NPC162313
0.9592 High Similarity NPC83508
0.9592 High Similarity NPC275722
0.9592 High Similarity NPC198826
0.9592 High Similarity NPC301323
0.9592 High Similarity NPC100887
0.9592 High Similarity NPC212678
0.9592 High Similarity NPC239128
0.9592 High Similarity NPC131624
0.9592 High Similarity NPC293183
0.9592 High Similarity NPC25270
0.9592 High Similarity NPC187498
0.9592 High Similarity NPC27208
0.9592 High Similarity NPC256283
0.9592 High Similarity NPC57030
0.9592 High Similarity NPC188203
0.9592 High Similarity NPC120163
0.9592 High Similarity NPC71334
0.9592 High Similarity NPC156222
0.9592 High Similarity NPC222830
0.9592 High Similarity NPC275836
0.9592 High Similarity NPC241498
0.9589 High Similarity NPC179183
0.9589 High Similarity NPC29231
0.9586 High Similarity NPC118726
0.9586 High Similarity NPC12367
0.953 High Similarity NPC274730
0.953 High Similarity NPC138243
0.953 High Similarity NPC472916
0.953 High Similarity NPC201837
0.9527 High Similarity NPC255350
0.9527 High Similarity NPC183878
0.9527 High Similarity NPC145379
0.9527 High Similarity NPC69394
0.9527 High Similarity NPC22519
0.9527 High Similarity NPC160951
0.9527 High Similarity NPC274327
0.9527 High Similarity NPC47781
0.9527 High Similarity NPC231018
0.9527 High Similarity NPC176775
0.9524 High Similarity NPC202157
0.9521 High Similarity NPC195351
0.9521 High Similarity NPC200221
0.9521 High Similarity NPC294502
0.9517 High Similarity NPC168803
0.947 High Similarity NPC204290
0.947 High Similarity NPC139036
0.947 High Similarity NPC263449
0.9467 High Similarity NPC36852
0.9467 High Similarity NPC300727
0.9467 High Similarity NPC469584
0.9467 High Similarity NPC241904
0.9467 High Similarity NPC262286
0.9463 High Similarity NPC472909
0.9463 High Similarity NPC201451
0.9463 High Similarity NPC213622
0.9463 High Similarity NPC37392
0.9463 High Similarity NPC4455
0.9463 High Similarity NPC146165
0.9463 High Similarity NPC183597
0.9463 High Similarity NPC138360
0.9463 High Similarity NPC280339
0.9463 High Similarity NPC92659
0.9463 High Similarity NPC20830
0.9463 High Similarity NPC44079
0.9463 High Similarity NPC26227
0.9463 High Similarity NPC2476
0.9463 High Similarity NPC163780
0.9463 High Similarity NPC50715
0.9463 High Similarity NPC196439
0.9463 High Similarity NPC167815
0.9463 High Similarity NPC227325
0.9463 High Similarity NPC256612
0.9463 High Similarity NPC128863
0.9463 High Similarity NPC201136
0.9459 High Similarity NPC219582
0.9459 High Similarity NPC142540
0.9459 High Similarity NPC302950
0.9459 High Similarity NPC236637
0.9456 High Similarity NPC151473
0.9456 High Similarity NPC77858
0.9456 High Similarity NPC306821
0.9456 High Similarity NPC184136
0.9452 High Similarity NPC321011
0.9452 High Similarity NPC188679
0.9452 High Similarity NPC294852
0.9452 High Similarity NPC287395
0.9452 High Similarity NPC183655
0.9444 High Similarity NPC279121
0.9444 High Similarity NPC59551
0.9408 High Similarity NPC308992
0.9408 High Similarity NPC167678
0.9408 High Similarity NPC29876
0.9408 High Similarity NPC266314
0.9408 High Similarity NPC162668
0.9404 High Similarity NPC250214
0.9404 High Similarity NPC476242
0.9404 High Similarity NPC152904
0.9404 High Similarity NPC95936
0.9404 High Similarity NPC100123
0.94 High Similarity NPC247017
0.94 High Similarity NPC98661
0.94 High Similarity NPC266960
0.94 High Similarity NPC245546
0.94 High Similarity NPC474638
0.94 High Similarity NPC49824
0.94 High Similarity NPC43243
0.9396 High Similarity NPC18727
0.9396 High Similarity NPC472915
0.9396 High Similarity NPC49402
0.9396 High Similarity NPC70433
0.9396 High Similarity NPC227337
0.9396 High Similarity NPC250822
0.9396 High Similarity NPC276409
0.9396 High Similarity NPC273462
0.9396 High Similarity NPC75279
0.9396 High Similarity NPC33051
0.9396 High Similarity NPC89474
0.9392 High Similarity NPC31363
0.9392 High Similarity NPC208043
0.9392 High Similarity NPC226973
0.9388 High Similarity NPC287101
0.9388 High Similarity NPC52005
0.9388 High Similarity NPC1612
0.9388 High Similarity NPC137062
0.9388 High Similarity NPC223579
0.9388 High Similarity NPC183959
0.9388 High Similarity NPC183950
0.9384 High Similarity NPC61871
0.9384 High Similarity NPC46941
0.9384 High Similarity NPC55557
0.9384 High Similarity NPC30647
0.9379 High Similarity NPC70136
0.9375 High Similarity NPC175013
0.9375 High Similarity NPC169479
0.9375 High Similarity NPC159855
0.9346 High Similarity NPC472448
0.9346 High Similarity NPC83922
0.9342 High Similarity NPC320359
0.9342 High Similarity NPC200746
0.9342 High Similarity NPC228785
0.9342 High Similarity NPC476980
0.9342 High Similarity NPC14353
0.9342 High Similarity NPC56085
0.9338 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 NPC61620 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
0.9527 High Similarity NPD2801 Approved
0.9459 High Similarity NPD1934 Approved
0.9444 High Similarity NPD1511 Approved
0.9315 High Similarity NPD1512 Approved
0.9139 High Similarity NPD2393 Clinical (unspecified phase)
0.8896 High Similarity NPD3882 Suspended
0.8861 High Similarity NPD6168 Clinical (unspecified phase)
0.8861 High Similarity NPD6167 Clinical (unspecified phase)
0.8861 High Similarity NPD6166 Phase 2
0.8767 High Similarity NPD1550 Clinical (unspecified phase)
0.8767 High Similarity NPD1552 Clinical (unspecified phase)
0.875 High Similarity NPD3818 Discontinued
0.8712 High Similarity NPD4338 Clinical (unspecified phase)
0.8707 High Similarity NPD1549 Phase 2
0.8654 High Similarity NPD4868 Clinical (unspecified phase)
0.8645 High Similarity NPD1465 Phase 2
0.8642 High Similarity NPD7074 Phase 3
0.8611 High Similarity NPD943 Approved
0.8608 High Similarity NPD5494 Approved
0.859 High Similarity NPD3817 Phase 2
0.858 High Similarity NPD7054 Approved
0.8528 High Similarity NPD7472 Approved
0.8503 High Similarity NPD1510 Phase 2
0.8487 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8452 Intermediate Similarity NPD4380 Phase 2
0.8392 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8365 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8364 Intermediate Similarity NPD6797 Phase 2
0.8356 Intermediate Similarity NPD1240 Approved
0.8313 Intermediate Similarity NPD7251 Discontinued
0.8272 Intermediate Similarity NPD6232 Discontinued
0.8263 Intermediate Similarity NPD7808 Phase 3
0.825 Intermediate Similarity NPD7075 Discontinued
0.8243 Intermediate Similarity NPD1607 Approved
0.8232 Intermediate Similarity NPD7473 Discontinued
0.8231 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8231 Intermediate Similarity NPD1613 Approved
0.821 Intermediate Similarity NPD1247 Approved
0.8176 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8144 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8133 Intermediate Similarity NPD5844 Phase 1
0.8129 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD5402 Approved
0.8079 Intermediate Similarity NPD2796 Approved
0.8065 Intermediate Similarity NPD6799 Approved
0.8063 Intermediate Similarity NPD7819 Suspended
0.8054 Intermediate Similarity NPD447 Suspended
0.8025 Intermediate Similarity NPD3749 Approved
0.8013 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD3750 Approved
0.7974 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7937 Intermediate Similarity NPD7411 Suspended
0.7933 Intermediate Similarity NPD230 Phase 1
0.7922 Intermediate Similarity NPD2800 Approved
0.7917 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD3926 Phase 2
0.7888 Intermediate Similarity NPD6801 Discontinued
0.7879 Intermediate Similarity NPD6959 Discontinued
0.7875 Intermediate Similarity NPD6599 Discontinued
0.7866 Intermediate Similarity NPD919 Approved
0.7843 Intermediate Similarity NPD2935 Discontinued
0.7843 Intermediate Similarity NPD1551 Phase 2
0.7778 Intermediate Similarity NPD6559 Discontinued
0.775 Intermediate Similarity NPD1653 Approved
0.7688 Intermediate Similarity NPD5403 Approved
0.7688 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7677 Intermediate Similarity NPD2344 Approved
0.7673 Intermediate Similarity NPD5401 Approved
0.7667 Intermediate Similarity NPD3027 Phase 3
0.7662 Intermediate Similarity NPD3748 Approved
0.7662 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD9494 Approved
0.7647 Intermediate Similarity NPD3751 Discontinued
0.7635 Intermediate Similarity NPD1203 Approved
0.7633 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD2313 Discontinued
0.7613 Intermediate Similarity NPD6100 Approved
0.7613 Intermediate Similarity NPD6099 Approved
0.7593 Intermediate Similarity NPD3226 Approved
0.7582 Intermediate Similarity NPD1933 Approved
0.758 Intermediate Similarity NPD1243 Approved
0.7578 Intermediate Similarity NPD920 Approved
0.7571 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD2346 Discontinued
0.7562 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD2534 Approved
0.7562 Intermediate Similarity NPD2532 Approved
0.7562 Intermediate Similarity NPD2533 Approved
0.7551 Intermediate Similarity NPD9269 Phase 2
0.753 Intermediate Similarity NPD7768 Phase 2
0.7515 Intermediate Similarity NPD3787 Discontinued
0.75 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD6190 Approved
0.7484 Intermediate Similarity NPD2309 Approved
0.7483 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD1610 Phase 2
0.7468 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD7199 Phase 2
0.744 Intermediate Similarity NPD6234 Discontinued
0.7438 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD2799 Discontinued
0.7421 Intermediate Similarity NPD4628 Phase 3
0.7421 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD1548 Phase 1
0.7315 Intermediate Similarity NPD9717 Approved
0.7315 Intermediate Similarity NPD1608 Approved
0.7314 Intermediate Similarity NPD5953 Discontinued
0.7312 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD6651 Approved
0.7299 Intermediate Similarity NPD7286 Phase 2
0.7285 Intermediate Similarity NPD1470 Approved
0.7284 Intermediate Similarity NPD7390 Discontinued
0.7279 Intermediate Similarity NPD9268 Approved
0.7255 Intermediate Similarity NPD4908 Phase 1
0.7248 Intermediate Similarity NPD422 Phase 1
0.7248 Intermediate Similarity NPD1201 Approved
0.7246 Intermediate Similarity NPD37 Approved
0.7241 Intermediate Similarity NPD7228 Approved
0.7232 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD4966 Approved
0.7219 Intermediate Similarity NPD4965 Approved
0.7219 Intermediate Similarity NPD4967 Phase 2
0.72 Intermediate Similarity NPD1481 Phase 2
0.7191 Intermediate Similarity NPD8313 Approved
0.7191 Intermediate Similarity NPD8312 Approved
0.719 Intermediate Similarity NPD2861 Phase 2
0.7175 Intermediate Similarity NPD7685 Pre-registration
0.7168 Intermediate Similarity NPD5242 Approved
0.7161 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD3268 Approved
0.7161 Intermediate Similarity NPD411 Approved
0.7143 Intermediate Similarity NPD6844 Discontinued
0.7134 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1535 Discovery
0.7124 Intermediate Similarity NPD2798 Approved
0.7114 Intermediate Similarity NPD17 Approved
0.7112 Intermediate Similarity NPD6776 Approved
0.7112 Intermediate Similarity NPD6781 Approved
0.7112 Intermediate Similarity NPD6778 Approved
0.7112 Intermediate Similarity NPD6782 Approved
0.7112 Intermediate Similarity NPD6780 Approved
0.7112 Intermediate Similarity NPD6777 Approved
0.7112 Intermediate Similarity NPD6779 Approved
0.711 Intermediate Similarity NPD5710 Approved
0.711 Intermediate Similarity NPD5711 Approved
0.7107 Intermediate Similarity NPD4308 Phase 3
0.7105 Intermediate Similarity NPD3225 Approved
0.7097 Intermediate Similarity NPD4625 Phase 3
0.7088 Intermediate Similarity NPD4287 Approved
0.7072 Intermediate Similarity NPD8434 Phase 2
0.7059 Intermediate Similarity NPD2797 Approved
0.7059 Intermediate Similarity NPD4288 Approved
0.7059 Intermediate Similarity NPD5353 Approved
0.7051 Intermediate Similarity NPD1296 Phase 2
0.7051 Intermediate Similarity NPD3764 Approved
0.7039 Intermediate Similarity NPD4749 Approved
0.7032 Intermediate Similarity NPD6832 Phase 2
0.703 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD2403 Approved
0.7027 Intermediate Similarity NPD4360 Phase 2
0.7027 Intermediate Similarity NPD4363 Phase 3
0.702 Intermediate Similarity NPD2899 Discontinued
0.7019 Intermediate Similarity NPD1471 Phase 3
0.7006 Intermediate Similarity NPD6233 Phase 2
0.7 Intermediate Similarity NPD7435 Discontinued
0.7 Intermediate Similarity NPD7033 Discontinued
0.6982 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6982 Remote Similarity NPD6385 Approved
0.6982 Remote Similarity NPD6386 Approved
0.6978 Remote Similarity NPD8150 Discontinued
0.697 Remote Similarity NPD4357 Discontinued
0.6968 Remote Similarity NPD3018 Phase 2
0.6966 Remote Similarity NPD228 Approved
0.6962 Remote Similarity NPD1558 Phase 1
0.6959 Remote Similarity NPD2296 Approved
0.6952 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6951 Remote Similarity NPD2354 Approved
0.6948 Remote Similarity NPD3267 Approved
0.6948 Remote Similarity NPD3266 Approved
0.6944 Remote Similarity NPD7549 Discontinued
0.6943 Remote Similarity NPD6798 Discontinued
0.6933 Remote Similarity NPD2654 Approved
0.6933 Remote Similarity NPD1652 Phase 2
0.6923 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7783 Phase 2
0.6919 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7229 Phase 3
0.6913 Remote Similarity NPD5536 Phase 2
0.6911 Remote Similarity NPD7696 Phase 3
0.6911 Remote Similarity NPD7698 Approved
0.6911 Remote Similarity NPD7697 Approved

Structure

External Identifiers

PubChem CID   5281626
ChEMBL   CHEMBL184574
ZINC  

Physicochemical Properties

Molecular Weight:  260.03
ALogP:  -2.2591
MLogP:  2.23
XLogP:  -0.349
# Rotatable Bonds:  4
Polar Surface Area:  107.22
# H-Bond Aceptor:  1
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  19

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Biological Activities  
Similar NPs/Drugs