Natural Product: NPC79298

Natural Product ID:  NPC79298
Common Name:   Bufogenin
IUPAC Name:  
Synonyms:   Bufogenin
Molecular Formula:   C24H32O4
Standard InCHIKey:  ATLJNLYIJOCWJE-CWMZOUAVSA-N
Standard InCHI:  InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1
Canonical SMILES:  O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3C[C@@H]2c1ccc(=O)oc1)C)C
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
NPO12735 Halimeda macroloba Species Halimedaceae Eukaryota UNPD*
NPO3983 Piper futokadsura Species Piperaceae Eukaryota UNPD*
NPO18636 Hesperocyparis macrocarpa Species Cupressaceae Eukaryota UNPD*
NPO10672 Vitex megapotamica Species Lamiaceae Eukaryota UNPD*
NPO3000 Boletus rubripes Species Boletaceae Eukaryota UNPD*
NPO11885 Dysoxylum lenticellatum Species Meliaceae Eukaryota UNPD*
NPO223 Rhaponticum carthamoides Species Asteraceae Eukaryota UNPD*
NPO5177 Lecanora conizaeoides Species Lecanoraceae Eukaryota UNPD*
NPO31404 Bufo melanostictus Species Bufonidae Eukaryota HerDing*
NPO5721 Psorothamnus spinosus Species Fabaceae Eukaryota UNPD*
NPO2498 Kochia trichophylla Species Chenopodiaceae Eukaryota UNPD*
NPO11515 Streptomyces plumbeus Species Streptomycetaceae Bacteria UNPD*
NPO33241 ch'an su NA NA NA PMID[12141860]
NPO11981 Bufo gargarizans Species Bufonidae Eukaryota TCMID*
NPO11981 Bufo gargarizans Species Bufonidae Eukaryota venom PMID[24050254]
NPO8733 Duttaphrynus melanostictus Species Bufonidae Eukaryota TCMID*
NPO9398 Cortinarius rubellus Species Cortinariaceae Eukaryota UNPD*
NPO12012 Saururus cernuus Species Saururaceae Eukaryota UNPD*
NPO7884 Centaurea amara Species Asteraceae Eukaryota UNPD*
NPO4797 Gavia immer Species Gaviidae Eukaryota UNPD*
NPO26231 Vicia villosa Species Fabaceae Eukaryota UNPD*
NPO2931 Eupatorium chaparense Species Asteraceae Eukaryota UNPD*
NPO12250 Strychnos fendleri Species Loganiaceae Eukaryota UNPD*
NPO19205 Buxus sempervirens Species Buxaceae Eukaryota UNPD*
NPO9576 Bufo bufo Species Bufonidae Eukaryota UNPD*
NPO25922 Hedyotis verticillata Species Rubiaceae Eukaryota UNPD*
NPO664 Potentilla multifida Species Rosaceae Eukaryota UNPD*
NPO2224 Zanthoxylum budrunga Species Rutaceae Eukaryota UNPD*
NPO10043 Phebalium ozothamnoides Species Rutaceae Eukaryota UNPD*
NPO12274 Achillea filipendulina Species Asteraceae Eukaryota UNPD*
NPO2917 Artemisia oranensis Species Asteraceae Eukaryota UNPD*
NPO11210 Funkia ovata NA NA NA UNPD*
NPO21463 Aruncus dioicus Species Rosaceae Eukaryota UNPD*
NPO12952 Cabucala madagascariensis Species Apocynaceae Eukaryota UNPD*
NPO7543 Haplopappus venetus Species Asteraceae Eukaryota UNPD*
NPO6887 Lytanthus salicinus NA NA NA UNPD*
NPO2208 Doronicum hungaricum Species Asteraceae Eukaryota UNPD*
NPO6011 Pleurotus citrinopileatus Species Pleurotaceae Eukaryota UNPD*
NPO27138 Entada rheedei Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 0.077 ug/ml 12459012
NPT2 Others Unspecified IC50 = 0.076 ug/ml 12459012
NPT65 Cell Line HepG2 Homo sapiens IC50 > 50000 nM 17911017
NPT165 Cell Line HeLa Homo sapiens IC50 > 50000 nM 17911017
NPT547 Cell Line BGC-823 Homo sapiens IC50 = 7890 nM 17911017
NPT91 Cell Line KB Homo sapiens IC50 = 1.3 ug/ml 11575946
NPT116 Cell Line HL-60 Homo sapiens IC50 = 0.5 ug/ml 11575946
NPT1366 Cell Line MH60 Mus musculus IC50 = 10 ug/ml 11575946
NPT91 Cell Line KB Homo sapiens IC50 = 1.34 ug/ml 12141860
NPT1366 Cell Line MH60 Mus musculus IC50 = 10.48 ug/ml 12141860
NPT1366 Cell Line MH60 Mus musculus IC50 = 22900 nM 15620253
NPT1366 Cell Line MH60 Mus musculus IC50 > 65100 nM 15620253
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 13459.1 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 6309.6 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 19011.5 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 28695.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 36125.4 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 13335.9 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 8414.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14963.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29855.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 100000 nM 24050254
NPT81 Cell Line A549 Homo sapiens IC50 > 100000 nM 24050254
NPT65 Cell Line HepG2 Homo sapiens IC50 = 43300 nM 24050254
NPT2 Others Unspecified Potency 1258.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 6007 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 21131.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6007 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 943.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2683.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 668.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2660.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2818.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1059.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3010.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9439.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2113.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1122 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1344.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2310.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 477.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9520.5 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 2660.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13333.2 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 1458.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 749.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2511.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 334.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7497.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 952.1 nM PubChem BioAssay data set

  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 NPC79298 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 NPC43063
0.9703 High Similarity NPC103491
0.9694 High Similarity NPC171014
0.95 High Similarity NPC295843
0.9423 High Similarity NPC171126
0.9412 High Similarity NPC75389
0.94 High Similarity NPC165969
0.9314 High Similarity NPC304276
0.9314 High Similarity NPC137462
0.9314 High Similarity NPC275060
0.9159 High Similarity NPC157380
0.9159 High Similarity NPC185287
0.9143 High Similarity NPC44537
0.9135 High Similarity NPC16270
0.9135 High Similarity NPC12795
0.9074 High Similarity NPC16701
0.9048 High Similarity NPC183603
0.8991 High Similarity NPC278681
0.8991 High Similarity NPC213761
0.8991 High Similarity NPC35171
0.8909 High Similarity NPC112936
0.8879 High Similarity NPC154815
0.8879 High Similarity NPC73050
0.8879 High Similarity NPC241977
0.8785 High Similarity NPC247760
0.875 High Similarity NPC189863
0.8661 High Similarity NPC312481
0.8571 High Similarity NPC257610
0.8571 High Similarity NPC114939
0.8571 High Similarity NPC145074
0.8571 High Similarity NPC266570
0.8571 High Similarity NPC41123
0.8559 High Similarity NPC146786
0.8558 High Similarity NPC297617
0.8544 High Similarity NPC268829
0.8544 High Similarity NPC222875
0.8544 High Similarity NPC25177
0.8544 High Similarity NPC247701
0.8544 High Similarity NPC295110
0.8509 High Similarity NPC6193
0.85 High Similarity NPC201725
0.8431 Intermediate Similarity NPC231751
0.8407 Intermediate Similarity NPC184555
0.8381 Intermediate Similarity NPC189588
0.8381 Intermediate Similarity NPC10232
0.8381 Intermediate Similarity NPC196471
0.8381 Intermediate Similarity NPC97487
0.8381 Intermediate Similarity NPC160583
0.8381 Intermediate Similarity NPC187302
0.8362 Intermediate Similarity NPC159499
0.835 Intermediate Similarity NPC92275
0.835 Intermediate Similarity NPC181147
0.8348 Intermediate Similarity NPC55602
0.8333 Intermediate Similarity NPC299654
0.8333 Intermediate Similarity NPC16967
0.8224 Intermediate Similarity NPC186668
0.8224 Intermediate Similarity NPC119855
0.8224 Intermediate Similarity NPC220217
0.8218 Intermediate Similarity NPC476304
0.8214 Intermediate Similarity NPC113425
0.8214 Intermediate Similarity NPC232564
0.8208 Intermediate Similarity NPC472821
0.8208 Intermediate Similarity NPC112009
0.82 Intermediate Similarity NPC302280
0.8198 Intermediate Similarity NPC122056
0.819 Intermediate Similarity NPC194028
0.819 Intermediate Similarity NPC168319
0.8182 Intermediate Similarity NPC284162
0.8182 Intermediate Similarity NPC255401
0.8173 Intermediate Similarity NPC218107
0.8173 Intermediate Similarity NPC108368
0.8173 Intermediate Similarity NPC278673
0.8173 Intermediate Similarity NPC57079
0.8165 Intermediate Similarity NPC475030
0.8158 Intermediate Similarity NPC264954
0.8155 Intermediate Similarity NPC190713
0.8137 Intermediate Similarity NPC476186
0.8137 Intermediate Similarity NPC191521
0.8131 Intermediate Similarity NPC472822
0.8131 Intermediate Similarity NPC200861
0.8119 Intermediate Similarity NPC74296
0.8119 Intermediate Similarity NPC110923
0.8095 Intermediate Similarity NPC472826
0.8095 Intermediate Similarity NPC201406
0.8095 Intermediate Similarity NPC251680
0.8087 Intermediate Similarity NPC474370
0.8077 Intermediate Similarity NPC141401
0.8077 Intermediate Similarity NPC99726
0.8039 Intermediate Similarity NPC205034
0.8039 Intermediate Similarity NPC214697
0.8039 Intermediate Similarity NPC38232
0.8039 Intermediate Similarity NPC162615
0.8039 Intermediate Similarity NPC152778
0.8037 Intermediate Similarity NPC180204
0.802 Intermediate Similarity NPC310479
0.8018 Intermediate Similarity NPC262083
0.8018 Intermediate Similarity NPC474315
0.8018 Intermediate Similarity NPC470076
0.8018 Intermediate Similarity NPC471484
0.8 Intermediate Similarity NPC473879
0.8 Intermediate Similarity NPC98868
0.8 Intermediate Similarity NPC221414
0.7982 Intermediate Similarity NPC167606
0.7982 Intermediate Similarity NPC290693
0.7982 Intermediate Similarity NPC470492
0.7982 Intermediate Similarity NPC140055
0.7982 Intermediate Similarity NPC286528
0.7982 Intermediate Similarity NPC20302
0.7981 Intermediate Similarity NPC195366
0.7981 Intermediate Similarity NPC114743
0.7966 Intermediate Similarity NPC233041
0.7963 Intermediate Similarity NPC272632
0.7949 Intermediate Similarity NPC153700
0.7949 Intermediate Similarity NPC88326
0.7946 Intermediate Similarity NPC475970
0.7946 Intermediate Similarity NPC476163
0.7944 Intermediate Similarity NPC155332
0.7944 Intermediate Similarity NPC32577
0.7944 Intermediate Similarity NPC114540
0.7941 Intermediate Similarity NPC329842
0.7941 Intermediate Similarity NPC212948
0.7941 Intermediate Similarity NPC177641
0.7928 Intermediate Similarity NPC238850
0.7925 Intermediate Similarity NPC227865
0.7925 Intermediate Similarity NPC290802
0.7921 Intermediate Similarity NPC472240
0.7921 Intermediate Similarity NPC473647
0.7921 Intermediate Similarity NPC262858
0.7913 Intermediate Similarity NPC50774
0.7913 Intermediate Similarity NPC709
0.7905 Intermediate Similarity NPC210337
0.7905 Intermediate Similarity NPC51499
0.7899 Intermediate Similarity NPC179261
0.789 Intermediate Similarity NPC472818
0.789 Intermediate Similarity NPC81630
0.7885 Intermediate Similarity NPC474909
0.7885 Intermediate Similarity NPC472441
0.7879 Intermediate Similarity NPC474013
0.787 Intermediate Similarity NPC45897
0.787 Intermediate Similarity NPC183570
0.787 Intermediate Similarity NPC85742
0.7857 Intermediate Similarity NPC470558
0.7845 Intermediate Similarity NPC153085
0.7845 Intermediate Similarity NPC268326
0.7843 Intermediate Similarity NPC221111
0.7843 Intermediate Similarity NPC78973
0.7843 Intermediate Similarity NPC280149
0.7843 Intermediate Similarity NPC182136
0.7843 Intermediate Similarity NPC273199
0.783 Intermediate Similarity NPC275086
0.783 Intermediate Similarity NPC325229
0.7826 Intermediate Similarity NPC183580
0.7826 Intermediate Similarity NPC312824
0.7826 Intermediate Similarity NPC470493
0.7826 Intermediate Similarity NPC243065
0.7822 Intermediate Similarity NPC93411
0.7822 Intermediate Similarity NPC471952
0.7818 Intermediate Similarity NPC472820
0.7815 Intermediate Similarity NPC8374
0.781 Intermediate Similarity NPC301534
0.781 Intermediate Similarity NPC250757
0.781 Intermediate Similarity NPC253115
0.781 Intermediate Similarity NPC88009
0.781 Intermediate Similarity NPC473153
0.781 Intermediate Similarity NPC304899
0.7807 Intermediate Similarity NPC69576
0.7807 Intermediate Similarity NPC31354
0.7807 Intermediate Similarity NPC147912
0.7807 Intermediate Similarity NPC67259
0.7807 Intermediate Similarity NPC216665
0.7807 Intermediate Similarity NPC471633
0.7807 Intermediate Similarity NPC84949
0.78 Intermediate Similarity NPC474970
0.78 Intermediate Similarity NPC131813
0.7798 Intermediate Similarity NPC472819
0.7788 Intermediate Similarity NPC279410
0.7788 Intermediate Similarity NPC105490
0.7788 Intermediate Similarity NPC119562
0.7788 Intermediate Similarity NPC150228
0.7788 Intermediate Similarity NPC214005
0.7778 Intermediate Similarity NPC470077
0.7778 Intermediate Similarity NPC306951
0.7778 Intermediate Similarity NPC475038
0.7778 Intermediate Similarity NPC109195
0.7767 Intermediate Similarity NPC234335
0.7757 Intermediate Similarity NPC230546
0.7757 Intermediate Similarity NPC266955
0.7757 Intermediate Similarity NPC473510
0.7748 Intermediate Similarity NPC472825
0.7745 Intermediate Similarity NPC177141
0.7745 Intermediate Similarity NPC82876
0.7745 Intermediate Similarity NPC146554
0.7742 Intermediate Similarity NPC248703
0.7739 Intermediate Similarity NPC5311
0.7739 Intermediate Similarity NPC193382
0.7739 Intermediate Similarity NPC310341
0.7739 Intermediate Similarity NPC470075
0.7739 Intermediate Similarity NPC199428
0.7739 Intermediate Similarity NPC99620
0.7736 Intermediate Similarity NPC253826

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC79298 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
0.8174 Intermediate Similarity NPD7503 Approved
0.8173 Intermediate Similarity NPD7638 Approved
0.8095 Intermediate Similarity NPD7640 Approved
0.8095 Intermediate Similarity NPD7639 Approved
0.7982 Intermediate Similarity NPD7115 Discovery
0.7607 Intermediate Similarity NPD7327 Approved
0.7607 Intermediate Similarity NPD7328 Approved
0.7589 Intermediate Similarity NPD6881 Approved
0.7589 Intermediate Similarity NPD6899 Approved
0.7573 Intermediate Similarity NPD6051 Approved
0.7542 Intermediate Similarity NPD7516 Approved
0.75 Intermediate Similarity NPD5697 Approved
0.7479 Intermediate Similarity NPD8294 Approved
0.7479 Intermediate Similarity NPD8377 Approved
0.7456 Intermediate Similarity NPD7290 Approved
0.7456 Intermediate Similarity NPD7102 Approved
0.7456 Intermediate Similarity NPD6883 Approved
0.7455 Intermediate Similarity NPD7632 Discontinued
0.7434 Intermediate Similarity NPD6011 Approved
0.7417 Intermediate Similarity NPD8379 Approved
0.7417 Intermediate Similarity NPD8378 Approved
0.7417 Intermediate Similarity NPD8033 Approved
0.7417 Intermediate Similarity NPD8296 Approved
0.7417 Intermediate Similarity NPD8380 Approved
0.7417 Intermediate Similarity NPD8335 Approved
0.7411 Intermediate Similarity NPD6675 Approved
0.7411 Intermediate Similarity NPD7128 Approved
0.7411 Intermediate Similarity NPD6402 Approved
0.7411 Intermediate Similarity NPD5739 Approved
0.7391 Intermediate Similarity NPD6869 Approved
0.7391 Intermediate Similarity NPD8130 Phase 1
0.7391 Intermediate Similarity NPD6847 Approved
0.7391 Intermediate Similarity NPD6650 Approved
0.7391 Intermediate Similarity NPD6649 Approved
0.7391 Intermediate Similarity NPD6617 Approved
0.7374 Intermediate Similarity NPD7525 Registered
0.7368 Intermediate Similarity NPD6012 Approved
0.7368 Intermediate Similarity NPD6013 Approved
0.7368 Intermediate Similarity NPD6014 Approved
0.7328 Intermediate Similarity NPD6882 Approved
0.7328 Intermediate Similarity NPD8297 Approved
0.7281 Intermediate Similarity NPD7320 Approved
0.7248 Intermediate Similarity NPD6084 Phase 2
0.7248 Intermediate Similarity NPD6083 Phase 2
0.7217 Intermediate Similarity NPD6372 Approved
0.7217 Intermediate Similarity NPD6373 Approved
0.7193 Intermediate Similarity NPD5701 Approved
0.7182 Intermediate Similarity NPD4225 Approved
0.7177 Intermediate Similarity NPD7507 Approved
0.7143 Intermediate Similarity NPD5211 Phase 2
0.7143 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD7748 Approved
0.7117 Intermediate Similarity NPD5285 Approved
0.7117 Intermediate Similarity NPD5286 Approved
0.7117 Intermediate Similarity NPD4696 Approved
0.7103 Intermediate Similarity NPD7515 Phase 2
0.7103 Intermediate Similarity NPD6079 Approved
0.71 Intermediate Similarity NPD4195 Approved
0.7094 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD5223 Approved
0.7037 Intermediate Similarity NPD4202 Approved
0.7034 Intermediate Similarity NPD6053 Discontinued
0.7025 Intermediate Similarity NPD6335 Approved
0.7019 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD5141 Approved
0.7008 Intermediate Similarity NPD7319 Approved
0.6991 Remote Similarity NPD4633 Approved
0.6991 Remote Similarity NPD5225 Approved
0.6991 Remote Similarity NPD5224 Approved
0.6991 Remote Similarity NPD5226 Approved
0.6975 Remote Similarity NPD4632 Approved
0.6967 Remote Similarity NPD7101 Approved
0.6967 Remote Similarity NPD7100 Approved
0.6964 Remote Similarity NPD6648 Approved
0.6957 Remote Similarity NPD6008 Approved
0.6952 Remote Similarity NPD6409 Approved
0.6952 Remote Similarity NPD7146 Approved
0.6952 Remote Similarity NPD7521 Approved
0.6952 Remote Similarity NPD5330 Approved
0.6952 Remote Similarity NPD6684 Approved
0.6952 Remote Similarity NPD7334 Approved
0.6944 Remote Similarity NPD8035 Phase 2
0.6944 Remote Similarity NPD8034 Phase 2
0.6944 Remote Similarity NPD7637 Suspended
0.6944 Remote Similarity NPD5281 Approved
0.6944 Remote Similarity NPD5284 Approved
0.6944 Remote Similarity NPD5693 Phase 1
0.6942 Remote Similarity NPD6317 Approved
0.6937 Remote Similarity NPD7902 Approved
0.6937 Remote Similarity NPD4755 Approved
0.693 Remote Similarity NPD5175 Approved
0.693 Remote Similarity NPD5174 Approved
0.6916 Remote Similarity NPD5328 Approved
0.6909 Remote Similarity NPD5695 Phase 3
0.6903 Remote Similarity NPD5344 Discontinued
0.6885 Remote Similarity NPD6313 Approved
0.6885 Remote Similarity NPD6314 Approved
0.6881 Remote Similarity NPD6399 Phase 3
0.688 Remote Similarity NPD7604 Phase 2
0.6875 Remote Similarity NPD5696 Approved
0.686 Remote Similarity NPD6274 Approved
0.6847 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6847 Remote Similarity NPD5222 Approved
0.6847 Remote Similarity NPD5221 Approved
0.6827 Remote Similarity NPD6695 Phase 3
0.6827 Remote Similarity NPD4788 Approved
0.6822 Remote Similarity NPD6903 Approved
0.6814 Remote Similarity NPD4700 Approved
0.6803 Remote Similarity NPD6009 Approved
0.68 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6797 Remote Similarity NPD7736 Approved
0.6792 Remote Similarity NPD3618 Phase 1
0.6789 Remote Similarity NPD5694 Approved
0.6789 Remote Similarity NPD6050 Approved
0.6786 Remote Similarity NPD5173 Approved
0.678 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6319 Approved
0.6768 Remote Similarity NPD6926 Approved
0.6768 Remote Similarity NPD6924 Approved
0.6765 Remote Similarity NPD7645 Phase 2
0.6762 Remote Similarity NPD3666 Approved
0.6762 Remote Similarity NPD3665 Phase 1
0.6762 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6762 Remote Similarity NPD3133 Approved
0.6759 Remote Similarity NPD6904 Approved
0.6759 Remote Similarity NPD6673 Approved
0.6759 Remote Similarity NPD6080 Approved
0.6759 Remote Similarity NPD4753 Phase 2
0.6757 Remote Similarity NPD5210 Approved
0.6757 Remote Similarity NPD4629 Approved
0.6754 Remote Similarity NPD4159 Approved
0.6731 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6729 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6721 Remote Similarity NPD6868 Approved
0.672 Remote Similarity NPD6291 Clinical (unspecified phase)
0.672 Remote Similarity NPD5983 Phase 2
0.67 Remote Similarity NPD6942 Approved
0.67 Remote Similarity NPD7339 Approved
0.6697 Remote Similarity NPD5692 Phase 3
0.6697 Remote Similarity NPD5207 Approved
0.6697 Remote Similarity NPD5785 Approved
0.6695 Remote Similarity NPD4730 Approved
0.6695 Remote Similarity NPD4729 Approved
0.6693 Remote Similarity NPD7492 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6672 Approved
0.6667 Remote Similarity NPD5737 Approved
0.6667 Remote Similarity NPD7900 Approved
0.6667 Remote Similarity NPD6001 Approved
0.6641 Remote Similarity NPD6336 Discontinued
0.6641 Remote Similarity NPD6616 Approved
0.664 Remote Similarity NPD6054 Approved
0.6638 Remote Similarity NPD4754 Approved
0.6634 Remote Similarity NPD6933 Approved
0.6604 Remote Similarity NPD4786 Approved
0.66 Remote Similarity NPD4785 Approved
0.66 Remote Similarity NPD4784 Approved
0.6596 Remote Similarity NPD7236 Approved
0.6589 Remote Similarity NPD7078 Approved
0.6587 Remote Similarity NPD6908 Approved
0.6587 Remote Similarity NPD6909 Approved
0.6583 Remote Similarity NPD5247 Approved
0.6583 Remote Similarity NPD5249 Phase 3
0.6583 Remote Similarity NPD5250 Approved
0.6583 Remote Similarity NPD5251 Approved
0.6583 Remote Similarity NPD5135 Approved
0.6583 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6583 Remote Similarity NPD4634 Approved
0.6583 Remote Similarity NPD5169 Approved
0.6583 Remote Similarity NPD5248 Approved
0.6583 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6574 Remote Similarity NPD3573 Approved
0.6574 Remote Similarity NPD7750 Discontinued
0.6574 Remote Similarity NPD7524 Approved
0.6571 Remote Similarity NPD4221 Approved
0.6571 Remote Similarity NPD4223 Phase 3
0.6566 Remote Similarity NPD7152 Approved
0.6566 Remote Similarity NPD7151 Approved
0.6566 Remote Similarity NPD4243 Approved
0.6566 Remote Similarity NPD7150 Approved
0.6555 Remote Similarity NPD6686 Approved
0.6555 Remote Similarity NPD5128 Approved
0.6549 Remote Similarity NPD4697 Phase 3
0.6545 Remote Similarity NPD7838 Discovery
0.6542 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6542 Remote Similarity NPD5329 Approved
0.6542 Remote Similarity NPD1694 Approved
0.6538 Remote Similarity NPD7514 Phase 3
0.6538 Remote Similarity NPD6930 Phase 2
0.6538 Remote Similarity NPD6931 Approved
0.6535 Remote Similarity NPD6370 Approved
0.6529 Remote Similarity NPD5216 Approved
0.6529 Remote Similarity NPD5127 Approved
0.6529 Remote Similarity NPD5215 Approved
0.6529 Remote Similarity NPD5217 Approved
0.6525 Remote Similarity NPD4768 Approved
0.6525 Remote Similarity NPD4767 Approved
0.6514 Remote Similarity NPD5208 Approved
0.6505 Remote Similarity NPD7322 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   6917974
ChEMBL   CHEMBL250172
ZINC  

Physicochemical Properties

Molecular Weight:  384.23
ALogP:  -0.0971
MLogP:  3.66
XLogP:  4.113
# Rotatable Bonds:  4
Polar Surface Area:  59.06
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  28

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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