Natural Product: NPC35544

Natural Product ID:  NPC35544
Common Name:   Pseudobaptogenin
IUPAC Name:   3-(1,3-benzodioxol-5-yl)-7-hydroxychromen-4-one
Synonyms:   NSC-100796
Molecular Formula:   C16H10O5
Standard InCHIKey:  KNJNBKINYHZUGC-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
Canonical SMILES:  Oc1ccc2c(c1)occ(c2=O)c1ccc2c(c1)OCO2
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
NPO19119 Pterocarpus sp. Species Fabaceae Eukaryota TCMID*
NPO7032 Marasmiellus troyanus Species Omphalotaceae Eukaryota UNPD*
NPO15397 Maackia sp. Species Baicaliidae Eukaryota TCMID*
NPO8257 Carpha glomerata Species Cyperaceae Eukaryota UNPD*
NPO7418 Eucalyptus resinifera Species Myrtaceae Eukaryota UNPD*
NPO9594 Lysimachia fordiana Species Primulaceae Eukaryota UNPD*
NPO8938 Halobacillus litoralis Species Bacillaceae Bacteria UNPD*
NPO3838 Chrysosporum ovalisporum Species Aphanizomenonaceae Bacteria UNPD*
NPO10038.1 Abies pinsapo var. marocana Varieties Pinaceae Eukaryota UNPD*
NPO1293 Streptomyces matensis Species Streptomycetaceae Bacteria UNPD*
NPO9737 Ampelocera edentula Species Ulmaceae Eukaryota UNPD*
NPO3151 Solanum lanceolatum Species Solanaceae Eukaryota UNPD*
NPO8790 Cyanostegia angustifolia Species Lamiaceae Eukaryota UNPD*
NPO22104 Trifolium pratense Species Fabaceae Eukaryota TCMID*
NPO21472 Pterolobium hexapetalum Species Fabaceae Eukaryota UNPD*
NPO4607 Dalbergia sp. Species Fabaceae Eukaryota TCMID*
NPO5608 Croton gratissimus Species Euphorbiaceae Eukaryota UNPD*
NPO8025 Aaptos ciliata Species Suberitidae Eukaryota UNPD*
NPO13474 Euphrasia genargentea Species Orobanchaceae Eukaryota UNPD*
NPO6065 Brassica carinata Species Brassicaceae Eukaryota UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota UNPD*
NPO2439 Diplopterygium glaucum Species Gleicheniaceae Eukaryota UNPD*
NPO1473 Xanthorhiza simplicissima Species Ranunculaceae Eukaryota UNPD*
NPO5086 Alternaria macrospora Species Pleosporaceae Eukaryota UNPD*
NPO1086 Botrytis cinerea Species Sclerotiniaceae Eukaryota UNPD*
NPO10132 Schizophyllum lobatum Species Schizophyllaceae Eukaryota UNPD*
NPO9867 Ixeris debilis Species Asteraceae Eukaryota UNPD*
NPO9998 Abies excelsa Species Pinaceae Eukaryota UNPD*
NPO20635 Dalbergia frutescens Species Fabaceae Eukaryota bark PMID[11076565]
NPO2670 Maytenus chuchuhuasha Species Celastraceae Eukaryota UNPD*
NPO30165 Pongamia pinnata Species Fabaceae Eukaryota dry stem PMID[25466192]
NPO4536 Remirea maritima Species Cyperaceae Eukaryota UNPD*
NPO593 Wikstroemia viridiflora Species Thymelaeaceae Eukaryota UNPD*
NPO18007.1 Agrimonia pilosa var. japonica Varieties Rosaceae Eukaryota HerDing*
NPO5857 Achlya heterosexualis Species Saprolegniaceae Eukaryota UNPD*
NPO29824 Pterocarpus sp Species Fabaceae Eukaryota HerDing*
NPO3344 Bryonia alba Species Cucurbitaceae Eukaryota UNPD*
NPO30674 Maackia sp Species Baicaliidae Eukaryota HerDing*
NPO5325 Lobophytum durum Species Alcyoniidae Eukaryota UNPD*
NPO31214 Dalbergia sp Species Fabaceae Eukaryota HerDing*
NPO4901 Arnica mollis Species Asteraceae Eukaryota UNPD*
NPO7845 Tephrosia elata Species Geometridae Eukaryota UNPD*
NPO6807 Ranunculus asiaticus Species Ranunculaceae Eukaryota UNPD*
NPO6859 Eurycoma harmandiana Species Simaroubaceae Eukaryota UNPD*
NPO784 Sinapis alba Species Brassicaceae Eukaryota UNPD*
NPO2765 Oxytropis falcata Species Fabaceae Eukaryota UNPD*
NPO4123 Trididemnum cyanophorum Species Didemnidae Eukaryota UNPD*
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota TCMSP*
NPO2131 Dactylorhiza viridis Species Orchidaceae Eukaryota UNPD*
NPO277 Caulis millettiae NA NA NA TCMID*
NPO373 Viburnum erubescens Species Adoxaceae Eukaryota UNPD*
NPO2340 Caulis spatholobi NA NA NA TCMID*
NPO9091 Orthosiphon spicatus Species Lamiaceae Eukaryota UNPD*
NPO18007.1 Agrimonia pilosa var. japonica Varieties Rosaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2645 Organism Giardia intestinalis Giardia intestinalis IC50 = 0.56 ug/ml 11076565
NPT2 Others Unspecified Activity = 0 8882428
NPT71 Cell Line HEK293 Homo sapiens Activity > 67 % 19807106
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens FC = 12.1 19807106
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens FC = 38.5 19807106
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens EC50 = 26940 nM 19807106
NPT866 Individual Protein Peroxisome proliferator-activated receptor alpha Homo sapiens EC50 = 8900 nM 19807106
NPT866 Individual Protein Peroxisome proliferator-activated receptor alpha Homo sapiens FC = 5.6 19807106
NPT866 Individual Protein Peroxisome proliferator-activated receptor alpha Homo sapiens FC = 11.7 19807106
NPT71 Cell Line HEK293 Homo sapiens Activity > 90 % 19807106
NPT71 Cell Line HEK293 Homo sapiens Activity > 60 % 19807106
NPT83 Cell Line MCF7 Homo sapiens IC50 > 100000 nM 19932969
NPT134 Cell Line SK-BR-3 Homo sapiens IC50 > 100000 nM 19932969
NPT71 Cell Line HEK293 Homo sapiens Activity > 90 % 23265844
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens EC50 = 22340 nM 23265844
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens EC50 = 26940 nM 23265844
NPT866 Individual Protein Peroxisome proliferator-activated receptor alpha Homo sapiens EC50 = 8900 nM 23265844
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens FC = 24.4 23265844
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens FC = 12.2 23265844
NPT2 Others Unspecified IC50 > 100000 nM 25466192
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens EC50 = 26940 nM 26616289
NPT866 Individual Protein Peroxisome proliferator-activated receptor alpha Homo sapiens EC50 = 8900 nM 26616289

  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 NPC35544 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 NPC104728
0.9667 High Similarity NPC62518
0.9667 High Similarity NPC215375
0.9603 High Similarity NPC225624
0.9603 High Similarity NPC285973
0.96 High Similarity NPC167595
0.9592 High Similarity NPC234152
0.9539 High Similarity NPC260640
0.9539 High Similarity NPC295009
0.9452 High Similarity NPC88345
0.9452 High Similarity NPC12377
0.9412 High Similarity NPC94155
0.9346 High Similarity NPC269906
0.9333 High Similarity NPC148497
0.9333 High Similarity NPC68882
0.9333 High Similarity NPC153008
0.9324 High Similarity NPC139364
0.9324 High Similarity NPC80710
0.9324 High Similarity NPC254702
0.9324 High Similarity NPC203747
0.9324 High Similarity NPC194653
0.9272 High Similarity NPC478213
0.9262 High Similarity NPC264289
0.9262 High Similarity NPC200060
0.9262 High Similarity NPC333691
0.9262 High Similarity NPC142876
0.9262 High Similarity NPC40290
0.9262 High Similarity NPC264550
0.9262 High Similarity NPC139293
0.9262 High Similarity NPC69430
0.9262 High Similarity NPC195763
0.9257 High Similarity NPC188074
0.9257 High Similarity NPC125449
0.9252 High Similarity NPC296575
0.9252 High Similarity NPC224687
0.92 High Similarity NPC156953
0.9184 High Similarity NPC38065
0.9184 High Similarity NPC242893
0.9167 High Similarity NPC470178
0.9161 High Similarity NPC470756
0.9161 High Similarity NPC162668
0.9145 High Similarity NPC57211
0.9139 High Similarity NPC288316
0.9139 High Similarity NPC256406
0.9139 High Similarity NPC279061
0.9139 High Similarity NPC262623
0.9116 High Similarity NPC119663
0.9103 High Similarity NPC125991
0.9103 High Similarity NPC469575
0.9085 High Similarity NPC478238
0.9079 High Similarity NPC245382
0.9079 High Similarity NPC100263
0.9079 High Similarity NPC209487
0.9079 High Similarity NPC291802
0.9079 High Similarity NPC131266
0.9079 High Similarity NPC474993
0.9079 High Similarity NPC35763
0.9079 High Similarity NPC121522
0.9079 High Similarity NPC216769
0.9079 High Similarity NPC181209
0.9079 High Similarity NPC100971
0.9079 High Similarity NPC269451
0.9079 High Similarity NPC52623
0.9073 High Similarity NPC239363
0.9062 High Similarity NPC235575
0.9051 High Similarity NPC254306
0.9048 High Similarity NPC185607
0.9038 High Similarity NPC471290
0.9034 High Similarity NPC212767
0.9032 High Similarity NPC113055
0.902 High Similarity NPC279930
0.902 High Similarity NPC124714
0.9013 High Similarity NPC19980
0.9013 High Similarity NPC45291
0.9007 High Similarity NPC171916
0.9007 High Similarity NPC38545
0.9 High Similarity NPC212748
0.9 High Similarity NPC12200
0.8994 High Similarity NPC42892
0.8994 High Similarity NPC229729
0.8987 High Similarity NPC470773
0.8987 High Similarity NPC165720
0.8986 High Similarity NPC254659
0.8968 High Similarity NPC474990
0.8968 High Similarity NPC310206
0.8966 High Similarity NPC193792
0.8961 High Similarity NPC284353
0.8961 High Similarity NPC39184
0.8954 High Similarity NPC292460
0.8947 High Similarity NPC10467
0.8947 High Similarity NPC85131
0.8944 High Similarity NPC223375
0.8944 High Similarity NPC475825
0.894 High Similarity NPC203077
0.894 High Similarity NPC218490
0.894 High Similarity NPC166036
0.894 High Similarity NPC238279
0.894 High Similarity NPC195202
0.8931 High Similarity NPC255615
0.8931 High Similarity NPC67037
0.8926 High Similarity NPC142165
0.8924 High Similarity NPC309025
0.8924 High Similarity NPC110257
0.8924 High Similarity NPC88043
0.8924 High Similarity NPC88023
0.8924 High Similarity NPC168822
0.8924 High Similarity NPC243930
0.8924 High Similarity NPC191306
0.8924 High Similarity NPC470772
0.8924 High Similarity NPC270335
0.8919 High Similarity NPC284556
0.8919 High Similarity NPC301178
0.8917 High Similarity NPC34376
0.8904 High Similarity NPC116632
0.8904 High Similarity NPC294409
0.8904 High Similarity NPC162680
0.8904 High Similarity NPC209560
0.8904 High Similarity NPC7013
0.8904 High Similarity NPC303644
0.8904 High Similarity NPC181124
0.8903 High Similarity NPC155063
0.8897 High Similarity NPC39426
0.8897 High Similarity NPC234560
0.8896 High Similarity NPC280937
0.8896 High Similarity NPC250557
0.8896 High Similarity NPC469550
0.8896 High Similarity NPC244371
0.8889 High Similarity NPC31363
0.8889 High Similarity NPC308451
0.8889 High Similarity NPC471291
0.8882 High Similarity NPC137062
0.8882 High Similarity NPC287101
0.8882 High Similarity NPC105511
0.8882 High Similarity NPC223579
0.8882 High Similarity NPC72249
0.8882 High Similarity NPC231194
0.8882 High Similarity NPC159103
0.8882 High Similarity NPC51326
0.8882 High Similarity NPC105512
0.8882 High Similarity NPC52005
0.8882 High Similarity NPC183950
0.8875 High Similarity NPC76482
0.8875 High Similarity NPC149244
0.8875 High Similarity NPC45400
0.8875 High Similarity NPC48640
0.8874 High Similarity NPC93034
0.8874 High Similarity NPC33265
0.8874 High Similarity NPC168803
0.8874 High Similarity NPC62536
0.8874 High Similarity NPC119660
0.8874 High Similarity NPC95864
0.8868 High Similarity NPC22832
0.8868 High Similarity NPC311830
0.8868 High Similarity NPC34531
0.8867 High Similarity NPC471590
0.8861 High Similarity NPC189142
0.8861 High Similarity NPC300537
0.8861 High Similarity NPC127782
0.8861 High Similarity NPC77660
0.8859 High Similarity NPC476054
0.8859 High Similarity NPC287722
0.8859 High Similarity NPC471417
0.8854 High Similarity NPC328102
0.8851 High Similarity NPC110419
0.8846 High Similarity NPC258644
0.8844 High Similarity NPC55162
0.8844 High Similarity NPC278323
0.8844 High Similarity NPC309154
0.8844 High Similarity NPC12175
0.8844 High Similarity NPC90665
0.8844 High Similarity NPC279668
0.8839 High Similarity NPC134287
0.8839 High Similarity NPC255807
0.8839 High Similarity NPC234255
0.8839 High Similarity NPC18954
0.8839 High Similarity NPC31018
0.8839 High Similarity NPC130589
0.8836 High Similarity NPC235428
0.8836 High Similarity NPC87545
0.8834 High Similarity NPC472607
0.8831 High Similarity NPC39732
0.8831 High Similarity NPC304954
0.8831 High Similarity NPC477231
0.8831 High Similarity NPC472912
0.8831 High Similarity NPC323626
0.8831 High Similarity NPC55205
0.8831 High Similarity NPC302950
0.8831 High Similarity NPC260979
0.8831 High Similarity NPC257648
0.8831 High Similarity NPC324233
0.8831 High Similarity NPC60972
0.8831 High Similarity NPC219582
0.8831 High Similarity NPC236637
0.8827 High Similarity NPC469506
0.8827 High Similarity NPC261254
0.8827 High Similarity NPC205076
0.8827 High Similarity NPC48773
0.8827 High Similarity NPC307518
0.8824 High Similarity NPC166753
0.8824 High Similarity NPC29231

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC35544 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
0.9236 High Similarity NPD3818 Discontinued
0.8897 High Similarity NPD1510 Phase 2
0.8831 High Similarity NPD1934 Approved
0.8782 High Similarity NPD3882 Suspended
0.875 High Similarity NPD6980 Clinical (unspecified phase)
0.8726 High Similarity NPD4381 Clinical (unspecified phase)
0.8704 High Similarity NPD7054 Approved
0.8675 High Similarity NPD1511 Approved
0.8654 High Similarity NPD2801 Approved
0.865 High Similarity NPD7472 Approved
0.865 High Similarity NPD7074 Phase 3
0.8562 High Similarity NPD1512 Approved
0.8535 High Similarity NPD2393 Clinical (unspecified phase)
0.8494 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8494 Intermediate Similarity NPD7808 Phase 3
0.8493 Intermediate Similarity NPD1240 Approved
0.8485 Intermediate Similarity NPD6797 Phase 2
0.8481 Intermediate Similarity NPD3817 Phase 2
0.8467 Intermediate Similarity NPD1549 Phase 2
0.8462 Intermediate Similarity NPD4380 Phase 2
0.8434 Intermediate Similarity NPD7251 Discontinued
0.84 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.84 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8378 Intermediate Similarity NPD1607 Approved
0.8312 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8293 Intermediate Similarity NPD6166 Phase 2
0.8293 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8293 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8282 Intermediate Similarity NPD6232 Discontinued
0.8272 Intermediate Similarity NPD5494 Approved
0.8258 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8243 Intermediate Similarity NPD943 Approved
0.8242 Intermediate Similarity NPD7473 Discontinued
0.8235 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8214 Intermediate Similarity NPD6559 Discontinued
0.8212 Intermediate Similarity NPD2796 Approved
0.821 Intermediate Similarity NPD919 Approved
0.8199 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8148 Intermediate Similarity NPD7075 Discontinued
0.8144 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8105 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8077 Intermediate Similarity NPD6799 Approved
0.8075 Intermediate Similarity NPD7819 Suspended
0.8075 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD6801 Discontinued
0.8012 Intermediate Similarity NPD37 Approved
0.8 Intermediate Similarity NPD1247 Approved
0.8 Intermediate Similarity NPD7199 Phase 2
0.8 Intermediate Similarity NPD3750 Approved
0.795 Intermediate Similarity NPD7411 Suspended
0.7927 Intermediate Similarity NPD3749 Approved
0.7904 Intermediate Similarity NPD3926 Phase 2
0.7904 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7888 Intermediate Similarity NPD6599 Discontinued
0.7879 Intermediate Similarity NPD6234 Discontinued
0.7866 Intermediate Similarity NPD4965 Approved
0.7866 Intermediate Similarity NPD4967 Phase 2
0.7866 Intermediate Similarity NPD4966 Approved
0.7857 Intermediate Similarity NPD1551 Phase 2
0.7857 Intermediate Similarity NPD2935 Discontinued
0.7853 Intermediate Similarity NPD1465 Phase 2
0.7829 Intermediate Similarity NPD1933 Approved
0.7824 Intermediate Similarity NPD5844 Phase 1
0.7812 Intermediate Similarity NPD5403 Approved
0.7805 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD5402 Approved
0.7799 Intermediate Similarity NPD2533 Approved
0.7799 Intermediate Similarity NPD5401 Approved
0.7799 Intermediate Similarity NPD2534 Approved
0.7799 Intermediate Similarity NPD2532 Approved
0.7785 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7718 Intermediate Similarity NPD2798 Approved
0.7712 Intermediate Similarity NPD230 Phase 1
0.7707 Intermediate Similarity NPD1243 Approved
0.7702 Intermediate Similarity NPD920 Approved
0.7688 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7677 Intermediate Similarity NPD3748 Approved
0.7654 Intermediate Similarity NPD1653 Approved
0.7651 Intermediate Similarity NPD7768 Phase 2
0.7647 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD7458 Discontinued
0.7597 Intermediate Similarity NPD447 Suspended
0.7595 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD2800 Approved
0.7586 Intermediate Similarity NPD7685 Pre-registration
0.7584 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD2344 Approved
0.7574 Intermediate Similarity NPD6959 Discontinued
0.7566 Intermediate Similarity NPD3027 Phase 3
0.7564 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7558 Intermediate Similarity NPD7228 Approved
0.7558 Intermediate Similarity NPD3751 Discontinued
0.755 Intermediate Similarity NPD9494 Approved
0.7532 Intermediate Similarity NPD1613 Approved
0.7532 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7443 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD4628 Phase 3
0.7436 Intermediate Similarity NPD6651 Approved
0.7434 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD1203 Approved
0.7403 Intermediate Similarity NPD2313 Discontinued
0.74 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD2309 Approved
0.733 Intermediate Similarity NPD5953 Discontinued
0.7326 Intermediate Similarity NPD3787 Discontinued
0.7312 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD8313 Approved
0.7303 Intermediate Similarity NPD8312 Approved
0.729 Intermediate Similarity NPD3764 Approved
0.7289 Intermediate Similarity NPD3226 Approved
0.7284 Intermediate Similarity NPD6190 Approved
0.7283 Intermediate Similarity NPD5242 Approved
0.7267 Intermediate Similarity NPD2654 Approved
0.7267 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD7028 Phase 2
0.7233 Intermediate Similarity NPD7033 Discontinued
0.7233 Intermediate Similarity NPD2799 Discontinued
0.723 Intermediate Similarity NPD1548 Phase 1
0.7225 Intermediate Similarity NPD5710 Approved
0.7225 Intermediate Similarity NPD5711 Approved
0.7219 Intermediate Similarity NPD6777 Approved
0.7219 Intermediate Similarity NPD6780 Approved
0.7219 Intermediate Similarity NPD6776 Approved
0.7219 Intermediate Similarity NPD6779 Approved
0.7219 Intermediate Similarity NPD6778 Approved
0.7219 Intermediate Similarity NPD9269 Phase 2
0.7219 Intermediate Similarity NPD6782 Approved
0.7219 Intermediate Similarity NPD6781 Approved
0.7216 Intermediate Similarity NPD7286 Phase 2
0.7195 Intermediate Similarity NPD4357 Discontinued
0.7195 Intermediate Similarity NPD7390 Discontinued
0.7191 Intermediate Similarity NPD7240 Approved
0.719 Intermediate Similarity NPD1470 Approved
0.7188 Intermediate Similarity NPD6099 Approved
0.7188 Intermediate Similarity NPD6100 Approved
0.7188 Intermediate Similarity NPD8151 Discontinued
0.7181 Intermediate Similarity NPD9268 Approved
0.7173 Intermediate Similarity NPD7584 Approved
0.7167 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD5536 Phase 2
0.7161 Intermediate Similarity NPD6832 Phase 2
0.7152 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD1610 Phase 2
0.7152 Intermediate Similarity NPD1201 Approved
0.7143 Intermediate Similarity NPD5005 Approved
0.7143 Intermediate Similarity NPD5006 Approved
0.7143 Intermediate Similarity NPD7266 Discontinued
0.7143 Intermediate Similarity NPD2346 Discontinued
0.7125 Intermediate Similarity NPD4308 Phase 3
0.7117 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD9545 Approved
0.7105 Intermediate Similarity NPD7696 Phase 3
0.7105 Intermediate Similarity NPD7698 Approved
0.7105 Intermediate Similarity NPD7697 Approved
0.7105 Intermediate Similarity NPD7435 Discontinued
0.7105 Intermediate Similarity NPD9717 Approved
0.7101 Intermediate Similarity NPD6386 Approved
0.7101 Intermediate Similarity NPD6385 Approved
0.7097 Intermediate Similarity NPD3018 Phase 2
0.7095 Intermediate Similarity NPD9493 Approved
0.7081 Intermediate Similarity NPD5405 Approved
0.7081 Intermediate Similarity NPD5404 Approved
0.7081 Intermediate Similarity NPD5408 Approved
0.7081 Intermediate Similarity NPD5406 Approved
0.7076 Intermediate Similarity NPD4288 Approved
0.7076 Intermediate Similarity NPD5353 Approved
0.707 Intermediate Similarity NPD3268 Approved
0.7068 Intermediate Similarity NPD7871 Phase 2
0.7068 Intermediate Similarity NPD7870 Phase 2
0.7059 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD4908 Phase 1
0.7039 Intermediate Similarity NPD3705 Approved
0.7039 Intermediate Similarity NPD422 Phase 1
0.7035 Intermediate Similarity NPD5019 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4420 Approved
0.7013 Intermediate Similarity NPD3225 Approved
0.7011 Intermediate Similarity NPD4287 Approved
0.7005 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD4361 Phase 2
0.6995 Remote Similarity NPD8434 Phase 2
0.6993 Remote Similarity NPD1608 Approved
0.6993 Remote Similarity NPD3972 Approved
0.6968 Remote Similarity NPD1164 Approved
0.6968 Remote Similarity NPD2797 Approved
0.6963 Remote Similarity NPD6823 Phase 2
0.6962 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6962 Remote Similarity NPD411 Approved
0.6959 Remote Similarity NPD7701 Phase 2
0.6954 Remote Similarity NPD1357 Approved
0.6952 Remote Similarity NPD6534 Approved
0.6952 Remote Similarity NPD6535 Approved
0.6948 Remote Similarity NPD2983 Phase 2

Structure

External Identifiers

PubChem CID   5281805
ChEMBL   CHEMBL486176
ZINC  

Physicochemical Properties

Molecular Weight:  282.05
ALogP:  -1.4297
MLogP:  2.67
XLogP:  2.477
# Rotatable Bonds:  2
Polar Surface Area:  64.99
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  21

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