Natural Product: NPC43918

Natural Product ID:  NPC43918
Common Name:   Punicafolin
IUPAC Name:  
Synonyms:   Punicafolin
Molecular Formula:   C41H30O26
Standard InCHIKey:  DPBVYZVSXAZMAY-UUUCSUBKSA-N
Standard InCHI:  InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)64-33-23-9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(8-22(49)30(54)32(25)56)40(61)65-34(33)35(66-37(58)11-3-17(44)27(51)18(45)4-11)41(63-23)67-38(59)12-5-19(46)28(52)20(47)6-12/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1
Canonical SMILES:  O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)[C@@H]2OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c3O)O)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO13355 Selinum carvifolium Species Apiaceae Eukaryota UNPD*
NPO12682 Euphorbia helioscopia Species Euphorbiaceae Eukaryota TCMID*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota UNPD*
NPO22447 Sidastrum acuminatum Species Malvaceae Eukaryota UNPD*
NPO1661 Bartramia pomiformis Species Bartramiaceae Eukaryota UNPD*
NPO21498 Coccus ilicis Species Coccidae Eukaryota UNPD*
NPO26880 Mallotus japonicus Species Euphorbiaceae Eukaryota TCMID*
NPO11882 Cedrus libani Species Pinaceae Eukaryota UNPD*
NPO7752 Beilschmiedia anacardioides Species Lauraceae Eukaryota UNPD*
NPO10884 Glycyrrhiza squamulosa Species Fabaceae Eukaryota UNPD*
NPO2780 Brenneria rubrifaciens Species Pectobacteriaceae Bacteria UNPD*
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota TCMID*
NPO11453 Centaurea cadmea Species Asteraceae Eukaryota UNPD*
NPO8606 Mallotus repandus Species Euphorbiaceae Eukaryota UNPD*
NPO16775 Thermopsis lanceolata Species Fabaceae Eukaryota UNPD*
NPO13047 Epipolasis kushimotoensis Species Axinellidae Eukaryota UNPD*
NPO14200 Aristolochia zollingeriana Species Aristolochiaceae Eukaryota UNPD*
NPO642 Artemisia bigelovii Species Asteraceae Eukaryota UNPD*
NPO12234 Khaya ivorensis Species Meliaceae Eukaryota UNPD*
NPO15164 Jacobaea adonidifolia Species Asteraceae Eukaryota UNPD*
NPO20972 Oscillatoria princeps Species Oscillatoriaceae Bacteria UNPD*
NPO22381 Euphorbia segetalis Species Euphorbiaceae Eukaryota UNPD*
NPO3280 Penicillium crustaceum Species Aspergillaceae Eukaryota UNPD*
NPO22295 Stauntonia chinensis Species Lardizabalaceae Eukaryota TCMID*
NPO12393 Xanthoparmelia subincerta Species Parmeliaceae Eukaryota UNPD*
NPO22829 Ozoroa insignis Species Anacardiaceae Eukaryota UNPD*
NPO22568 Aristolochia elegans Species Aristolochiaceae Eukaryota UNPD*
NPO20096 Cirsium japonicum Species Asteraceae Eukaryota UNPD*
NPO21096 Cardiospermum halicacabum Species Sapindaceae Eukaryota UNPD*
NPO12754 Cerinthe minor Species Boraginaceae Eukaryota UNPD*
NPO12088 Conyza canadensis Species Asteraceae Eukaryota UNPD*
NPO12585 Craspidospermum verticillatum Species Apocynaceae Eukaryota UNPD*
NPO12362 Coreopsis fasciculata Species Asteraceae Eukaryota UNPD*
NPO3458 Lupinus verbasciformis Species Fabaceae Eukaryota UNPD*
NPO10389 Larix cajanderi Species Pinaceae Eukaryota UNPD*
NPO21730 Pouzolzia occidentalis Species Urticaceae Eukaryota UNPD*
NPO477 Lepraria xanthina Species Stereocaulaceae Eukaryota UNPD*
NPO28912 Astragalus gummifer Species Fabaceae Eukaryota UNPD*
NPO6774 Khaya senegalensis Species Meliaceae Eukaryota UNPD*
NPO5508 Stevia purpurea Species Asteraceae Eukaryota UNPD*
NPO13504 Lotus japonicus Species Fabaceae Eukaryota UNPD*
NPO25715 Senna siamea Species Fabaceae Eukaryota UNPD*
NPO7087 Oxera splendida Species Lamiaceae Eukaryota UNPD*
NPO20842 Beauveria felina Species Cordycipitaceae Eukaryota UNPD*
NPO2130 Ehretia dicksonii Species Ehretiaceae Eukaryota UNPD*
NPO10729 Lechevalieria aerocolonigenes Species Pseudonocardiaceae Bacteria UNPD*
NPO14289 Pieris napi Species Pieridae Eukaryota UNPD*
NPO12061 Justicia paniculata Species Acanthaceae Eukaryota UNPD*
NPO22121 Piper arboreum Species Piperaceae Eukaryota UNPD*
NPO20209 Dorstenia lindeniana Species Moraceae Eukaryota UNPD*
NPO14435 Mnium hornum Species Mniaceae Eukaryota UNPD*
NPO22635 Penstemon secundiflorus Species Plantaginaceae Eukaryota UNPD*
NPO12414 Penicillium paxilli Species Aspergillaceae Eukaryota UNPD*
NPO14089 Hypericum ascyron Species Hypericaceae Eukaryota UNPD*
NPO20779 Garcinia hombroniana Species Clusiaceae Eukaryota UNPD*
NPO5344 Calodendrum capense Species Rutaceae Eukaryota UNPD*
NPO16102 Senecio chinensis Species Asteraceae Eukaryota UNPD*
NPO23577 Wolfiporia cocos Species Coriolaceae Eukaryota UNPD*
NPO21603 Eskemukerjea megacarpum NA NA NA UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota UNPD*
NPO15300 Bipolaris zeicola Species Pleosporaceae Eukaryota UNPD*
NPO20146 Cladiella krempfi Species Alcyoniidae Eukaryota UNPD*
NPO3199 Balanophora involucrata Species Balanophoraceae Eukaryota UNPD*
NPO21420 Phormia regina Species Calliphoridae Eukaryota UNPD*
NPO22052 Aspergillus candidus Species Aspergillaceae Eukaryota UNPD*
NPO12330 Pseudophryne coriacea Species Myobatrachidae Eukaryota UNPD*
NPO21227 Aglaia elaeagnoidea Species Meliaceae Eukaryota UNPD*
NPO13938 Plantago alpina Species Plantaginaceae Eukaryota UNPD*
NPO14615 Streptomyces paulus Species Streptomycetaceae Bacteria UNPD*
NPO305 Vitex pinnata Species Lamiaceae Eukaryota UNPD*
NPO19899 Crepis foetida Species Asteraceae Eukaryota UNPD*
NPO6395 Phedimus kamtschaticus Species Crassulaceae Eukaryota UNPD*
NPO22509 Syncolostemon parviflorus Species Lamiaceae Eukaryota UNPD*
NPO1209 Swartzia madagascariensis Species Fabaceae Eukaryota UNPD*
NPO12069 Isaria felina Species Cordycipitaceae Eukaryota UNPD*
NPO13701 Melaleuca rhaphiophylla Species Myrtaceae Eukaryota UNPD*
NPO10012 Triaenophora rupestris Species Orobanchaceae Eukaryota UNPD*
NPO12682 Euphorbia helioscopia Species Euphorbiaceae Eukaryota HerDing*
NPO11633 Kelletia kelletii Species Buccinidae Eukaryota UNPD*
NPO9669 Dictyopteris acrostichoides Species Dictyotaceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota HerDing*
NPO6330 Croton caudatus Species Euphorbiaceae Eukaryota UNPD*
NPO3453 Elaeocarpus fuscoides Species Elaeocarpaceae Eukaryota UNPD*
NPO22295 Stauntonia chinensis Species Lardizabalaceae Eukaryota HerDing*
NPO14504 Alectoria divergens Species Parmeliaceae Eukaryota UNPD*
NPO896 Streptomyces kanamyceticus Species Streptomycetaceae Bacteria UNPD*
NPO26880 Mallotus japonicus Species Euphorbiaceae Eukaryota HerDing*
NPO12910 Ixeris stolonifera Species Asteraceae Eukaryota UNPD*
NPO21473 Urtica triangularis Species Urticaceae Eukaryota UNPD*
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota HerDing*
NPO23953 Zanthoxylum monophyllum Species Rutaceae Eukaryota UNPD*
NPO13076 Cephalaria grossheimii Species Caprifoliaceae Eukaryota UNPD*
NPO7720 Cyathocline purpurea Species Asteraceae Eukaryota UNPD*
NPO13907 Senecio renardii Species Asteraceae Eukaryota UNPD*
NPO10865 Sextonia rubra Species Lauraceae Eukaryota UNPD*
NPO22315 Phlogacanthus thyrsiflorus Species Acanthaceae Eukaryota UNPD*
NPO16207 Acacia glaucescens Species Fabaceae Eukaryota UNPD*
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota UNPD*
NPO27015 Valeriana hardwickii Species Caprifoliaceae Eukaryota UNPD*
NPO19369 Bacillus thuringiensis Species Bacillaceae Bacteria UNPD*
NPO21282 Aplidium orthium Species Polyclinidae Eukaryota UNPD*
NPO16699 Agave utahensis Species Asparagaceae Eukaryota UNPD*
NPO8543 Meconopsis horridula Species Papaveraceae Eukaryota UNPD*
NPO22250 Parastrephia lepidophylla Species Asteraceae Eukaryota UNPD*
NPO25774 Virola multinervia Species Myristicaceae Eukaryota UNPD*
NPO22893 Apterostigma dentigerum Species Formicidae Eukaryota UNPD*
NPO21859 Centaurea nigrescens Species Asteraceae Eukaryota UNPD*
NPO12218 Pulicaria wightiana Species Asteraceae Eukaryota UNPD*
NPO22763 Cuphea carthagenensis Species Lythraceae Eukaryota UNPD*
NPO11429 Matricaria parthenium Species Asteraceae Eukaryota UNPD*
NPO21991 Modiolus demissus Species Mytilidae Eukaryota UNPD*
NPO29466 Triglochin maritima Species Juncaginaceae Eukaryota UNPD*
NPO20652 Phytolacca acinosa Species Phytolaccaceae Eukaryota UNPD*
NPO20332 Dioscoreophyllum cumminsii Species Menispermaceae Eukaryota UNPD*
NPO15984 Blainvillea rhomboidea Species Asteraceae Eukaryota UNPD*
NPO23010 Crinum defixum Species Amaryllidaceae Eukaryota UNPD*
NPO6179 Aframomum amaniense Species Zingiberaceae Eukaryota UNPD*
NPO16414 Thuja plicata Species Cupressaceae Eukaryota UNPD*
NPO4754 Yucca flexilis Species Asparagaceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota TCMID*
NPO22976 Ruta microcarpa Species Rutaceae Eukaryota UNPD*
NPO7169 Nama hispidum Species Namaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 = 34000 nM 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 19000 nM 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Therapeutic index = 1.8 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition = 60 % 10.1016/S0960-894X(00)80422-9
NPT459 Individual Protein Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 Inhibition = 0 % 10.1016/S0960-894X(00)80422-9
NPT316 Protein Family Protein kinase C (PKC) Homo sapiens IC50 = 4000 nM 10.1016/S0960-894X(01)81072-6
NPT1284 Protein Family Protein kinase C (PKC) Rattus norvegicus IC50 = 4000 nM 8289196
NPT2 Others Unspecified IC50 > 218000 nM 8289196
NPT1284 Protein Family Protein kinase C (PKC) Rattus norvegicus IC50 < 50000 nM 8289196
NPT672 Cell Line TE-671 Homo sapiens ED50 > 10 ug/ml 1431932
NPT180 Cell Line HCT-8 Homo sapiens ED50 > 10 ug/ml 1431932
NPT81 Cell Line A549 Homo sapiens ED50 > 10 ug/ml 1431932
NPT91 Cell Line KB Homo sapiens ED50 > 10 ug/ml 1431932
NPT2 Others Unspecified ED50 > 10 ug/ml 1431932

  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 NPC43918 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 NPC190204
1.0 High Similarity NPC261411
0.9874 High Similarity NPC47521
0.9873 High Similarity NPC470271
0.9873 High Similarity NPC311389
0.981 High Similarity NPC175793
0.975 High Similarity NPC470272
0.9625 High Similarity NPC31034
0.962 High Similarity NPC14030
0.962 High Similarity NPC291957
0.956 High Similarity NPC470898
0.9512 High Similarity NPC472723
0.9458 High Similarity NPC8940
0.943 High Similarity NPC114791
0.943 High Similarity NPC141331
0.943 High Similarity NPC210501
0.943 High Similarity NPC318826
0.943 High Similarity NPC104222
0.9398 High Similarity NPC80956
0.9383 High Similarity NPC217781
0.9367 High Similarity NPC172419
0.9367 High Similarity NPC238419
0.9321 High Similarity NPC142707
0.9321 High Similarity NPC26536
0.9321 High Similarity NPC49983
0.9321 High Similarity NPC317671
0.9304 High Similarity NPC239019
0.9304 High Similarity NPC247629
0.9259 High Similarity NPC162169
0.9259 High Similarity NPC166851
0.9235 High Similarity NPC260521
0.9235 High Similarity NPC65489
0.9235 High Similarity NPC469649
0.9231 High Similarity NPC231254
0.9181 High Similarity NPC240200
0.9181 High Similarity NPC158214
0.9181 High Similarity NPC290289
0.9181 High Similarity NPC223534
0.9176 High Similarity NPC469650
0.9176 High Similarity NPC111490
0.9176 High Similarity NPC261623
0.9162 High Similarity NPC297574
0.9128 High Similarity NPC187632
0.9128 High Similarity NPC472720
0.9128 High Similarity NPC31208
0.9128 High Similarity NPC160543
0.9128 High Similarity NPC472721
0.9128 High Similarity NPC472724
0.9128 High Similarity NPC93065
0.9128 High Similarity NPC469652
0.9125 High Similarity NPC474010
0.9125 High Similarity NPC135222
0.9114 High Similarity NPC61152
0.9114 High Similarity NPC205037
0.9114 High Similarity NPC44260
0.9114 High Similarity NPC16024
0.9114 High Similarity NPC3746
0.9075 High Similarity NPC471091
0.9075 High Similarity NPC40078
0.9075 High Similarity NPC97924
0.907 High Similarity NPC119094
0.907 High Similarity NPC173872
0.907 High Similarity NPC269046
0.9059 High Similarity NPC123259
0.9059 High Similarity NPC129533
0.9053 High Similarity NPC198902
0.9017 High Similarity NPC201814
0.9012 High Similarity NPC237202
0.8976 High Similarity NPC149300
0.8971 High Similarity NPC476358
0.8966 High Similarity NPC264302
0.8963 High Similarity NPC469651
0.896 High Similarity NPC477081
0.896 High Similarity NPC7839
0.896 High Similarity NPC477083
0.896 High Similarity NPC142291
0.8929 High Similarity NPC473550
0.8916 High Similarity NPC473818
0.8889 High Similarity NPC208797
0.8889 High Similarity NPC53680
0.887 High Similarity NPC3474
0.887 High Similarity NPC189312
0.8869 High Similarity NPC100251
0.8869 High Similarity NPC65333
0.8868 High Similarity NPC140151
0.8864 High Similarity NPC477082
0.8862 High Similarity NPC95421
0.8862 High Similarity NPC198125
0.8861 High Similarity NPC92117
0.8827 High Similarity NPC134925
0.8824 High Similarity NPC79736
0.8824 High Similarity NPC67629
0.8817 High Similarity NPC166674
0.8817 High Similarity NPC98583
0.8817 High Similarity NPC219600
0.8817 High Similarity NPC34436
0.8817 High Similarity NPC263119
0.8817 High Similarity NPC46640
0.881 High Similarity NPC181778
0.8797 High Similarity NPC120621
0.8797 High Similarity NPC248257
0.8797 High Similarity NPC142528
0.8779 High Similarity NPC125352
0.8772 High Similarity NPC267549
0.8771 High Similarity NPC174140
0.8765 High Similarity NPC171706
0.8735 High Similarity NPC121290
0.8728 High Similarity NPC297503
0.8728 High Similarity NPC97119
0.8728 High Similarity NPC135831
0.8721 High Similarity NPC472725
0.8721 High Similarity NPC472726
0.8712 High Similarity NPC300845
0.8712 High Similarity NPC104983
0.8712 High Similarity NPC88803
0.8712 High Similarity NPC250436
0.8712 High Similarity NPC291948
0.8686 High Similarity NPC105591
0.8667 High Similarity NPC24627
0.8667 High Similarity NPC289346
0.8659 High Similarity NPC38779
0.8659 High Similarity NPC257309
0.8659 High Similarity NPC114179
0.8659 High Similarity NPC68324
0.8659 High Similarity NPC289322
0.8659 High Similarity NPC160512
0.8659 High Similarity NPC156818
0.865 High Similarity NPC472835
0.865 High Similarity NPC203757
0.8647 High Similarity NPC67134
0.8647 High Similarity NPC47140
0.8639 High Similarity NPC197708
0.8639 High Similarity NPC658
0.8634 High Similarity NPC252979
0.8629 High Similarity NPC112380
0.8621 High Similarity NPC132111
0.8616 High Similarity NPC268366
0.8614 High Similarity NPC266365
0.8613 High Similarity NPC471030
0.8608 High Similarity NPC108455
0.8606 High Similarity NPC87317
0.8605 High Similarity NPC473713
0.8598 High Similarity NPC318432
0.8596 High Similarity NPC88560
0.8596 High Similarity NPC175230
0.8596 High Similarity NPC172033
0.8588 High Similarity NPC204937
0.8588 High Similarity NPC149011
0.858 High Similarity NPC179947
0.858 High Similarity NPC311912
0.858 High Similarity NPC269625
0.858 High Similarity NPC475179
0.8563 High Similarity NPC90905
0.8563 High Similarity NPC285108
0.8563 High Similarity NPC4013
0.8563 High Similarity NPC33298
0.8563 High Similarity NPC170203
0.8563 High Similarity NPC469371
0.8555 High Similarity NPC253521
0.8555 High Similarity NPC476618
0.8555 High Similarity NPC267680
0.8555 High Similarity NPC476619
0.8555 High Similarity NPC196127
0.8555 High Similarity NPC476622
0.8555 High Similarity NPC293626
0.8555 High Similarity NPC476620
0.8555 High Similarity NPC476621
0.8555 High Similarity NPC37668
0.8555 High Similarity NPC217387
0.8555 High Similarity NPC476623
0.8555 High Similarity NPC258044
0.8555 High Similarity NPC113836
0.8554 High Similarity NPC24164
0.8554 High Similarity NPC53889
0.8545 High Similarity NPC472860
0.8544 High Similarity NPC226738
0.8544 High Similarity NPC190587
0.8544 High Similarity NPC229036
0.8544 High Similarity NPC22176
0.8544 High Similarity NPC121573
0.8538 High Similarity NPC5786
0.8538 High Similarity NPC102851
0.8538 High Similarity NPC38438
0.8537 High Similarity NPC156624
0.8537 High Similarity NPC172920
0.8531 High Similarity NPC473618
0.8529 High Similarity NPC88557
0.8523 High Similarity NPC473686
0.8523 High Similarity NPC229817
0.8523 High Similarity NPC475352
0.8523 High Similarity NPC474093
0.8523 High Similarity NPC475220
0.8523 High Similarity NPC221140
0.8523 High Similarity NPC104910
0.8514 High Similarity NPC475662
0.8514 High Similarity NPC293227
0.8514 High Similarity NPC473631
0.8514 High Similarity NPC473717
0.8509 High Similarity NPC75945
0.8497 Intermediate Similarity NPC61904

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC43918 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
0.8712 High Similarity NPD4868 Clinical (unspecified phase)
0.8647 High Similarity NPD7993 Clinical (unspecified phase)
0.8258 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8253 Intermediate Similarity NPD1465 Phase 2
0.8182 Intermediate Similarity NPD8313 Approved
0.8182 Intermediate Similarity NPD8312 Approved
0.8161 Intermediate Similarity NPD7074 Phase 3
0.8161 Intermediate Similarity NPD7472 Approved
0.815 Intermediate Similarity NPD7228 Approved
0.815 Intermediate Similarity NPD3818 Discontinued
0.8125 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8114 Intermediate Similarity NPD6797 Phase 2
0.8103 Intermediate Similarity NPD7054 Approved
0.8103 Intermediate Similarity NPD5844 Phase 1
0.8095 Intermediate Similarity NPD8151 Discontinued
0.8068 Intermediate Similarity NPD7251 Discontinued
0.8059 Intermediate Similarity NPD6234 Discontinued
0.8023 Intermediate Similarity NPD7808 Phase 3
0.8023 Intermediate Similarity NPD6232 Discontinued
0.8 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7967 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD6166 Phase 2
0.7931 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7929 Intermediate Similarity NPD8455 Phase 2
0.7911 Intermediate Similarity NPD230 Phase 1
0.7886 Intermediate Similarity NPD7473 Discontinued
0.787 Intermediate Similarity NPD37 Approved
0.7861 Intermediate Similarity NPD6959 Discontinued
0.7836 Intermediate Similarity NPD4965 Approved
0.7836 Intermediate Similarity NPD4967 Phase 2
0.7836 Intermediate Similarity NPD4966 Approved
0.7805 Intermediate Similarity NPD6190 Approved
0.779 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7266 Discontinued
0.7765 Intermediate Similarity NPD1934 Approved
0.7765 Intermediate Similarity NPD7685 Pre-registration
0.7765 Intermediate Similarity NPD7240 Approved
0.7759 Intermediate Similarity NPD7199 Phase 2
0.7727 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD7390 Discontinued
0.7697 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD6559 Discontinued
0.7647 Intermediate Similarity NPD4380 Phase 2
0.7616 Intermediate Similarity NPD7819 Suspended
0.7586 Intermediate Similarity NPD3749 Approved
0.756 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7542 Intermediate Similarity NPD3751 Discontinued
0.7529 Intermediate Similarity NPD7768 Phase 2
0.7529 Intermediate Similarity NPD1653 Approved
0.7514 Intermediate Similarity NPD2801 Approved
0.7514 Intermediate Similarity NPD3787 Discontinued
0.7513 Intermediate Similarity NPD8319 Approved
0.7513 Intermediate Similarity NPD8320 Phase 1
0.75 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6535 Approved
0.75 Intermediate Similarity NPD6534 Approved
0.7486 Intermediate Similarity NPD7075 Discontinued
0.7474 Intermediate Similarity NPD7700 Phase 2
0.7474 Intermediate Similarity NPD7699 Phase 2
0.7471 Intermediate Similarity NPD3817 Phase 2
0.7461 Intermediate Similarity NPD7435 Discontinued
0.7459 Intermediate Similarity NPD8150 Discontinued
0.7429 Intermediate Similarity NPD3882 Suspended
0.7425 Intermediate Similarity NPD3750 Approved
0.7425 Intermediate Similarity NPD8166 Discontinued
0.7423 Intermediate Similarity NPD7871 Phase 2
0.7423 Intermediate Similarity NPD7870 Phase 2
0.7407 Intermediate Similarity NPD943 Approved
0.7399 Intermediate Similarity NPD7411 Suspended
0.7396 Intermediate Similarity NPD6781 Approved
0.7396 Intermediate Similarity NPD6778 Approved
0.7396 Intermediate Similarity NPD6779 Approved
0.7396 Intermediate Similarity NPD1511 Approved
0.7396 Intermediate Similarity NPD6780 Approved
0.7396 Intermediate Similarity NPD6777 Approved
0.7396 Intermediate Similarity NPD6782 Approved
0.7396 Intermediate Similarity NPD6776 Approved
0.7394 Intermediate Similarity NPD5405 Approved
0.7394 Intermediate Similarity NPD5406 Approved
0.7394 Intermediate Similarity NPD5408 Approved
0.7394 Intermediate Similarity NPD5404 Approved
0.7391 Intermediate Similarity NPD3764 Approved
0.7384 Intermediate Similarity NPD7458 Discontinued
0.7374 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD7783 Phase 2
0.7371 Intermediate Similarity NPD7680 Approved
0.7371 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD9269 Phase 2
0.7323 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD7874 Approved
0.7314 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD1512 Approved
0.7305 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD5494 Approved
0.7282 Intermediate Similarity NPD7696 Phase 3
0.7282 Intermediate Similarity NPD7698 Approved
0.7282 Intermediate Similarity NPD7697 Approved
0.7273 Intermediate Similarity NPD5402 Approved
0.7263 Intermediate Similarity NPD6213 Phase 3
0.7263 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD6212 Phase 3
0.7251 Intermediate Similarity NPD2533 Approved
0.7251 Intermediate Similarity NPD2532 Approved
0.7251 Intermediate Similarity NPD2534 Approved
0.7229 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7701 Phase 2
0.7202 Intermediate Similarity NPD1549 Phase 2
0.7184 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD6801 Discontinued
0.7151 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6823 Phase 2
0.7143 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD3748 Approved
0.7126 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD1510 Phase 2
0.7118 Intermediate Similarity NPD4628 Phase 3
0.7118 Intermediate Similarity NPD7003 Approved
0.7114 Intermediate Similarity NPD7801 Approved
0.7093 Intermediate Similarity NPD6799 Approved
0.7091 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD1613 Approved
0.7074 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD9268 Approved
0.7069 Intermediate Similarity NPD5403 Approved
0.7059 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD6599 Discontinued
0.7035 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.6994 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6954 Remote Similarity NPD5401 Approved
0.6954 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6951 Remote Similarity NPD1529 Clinical (unspecified phase)
0.694 Remote Similarity NPD7229 Phase 3
0.6919 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6909 Remote Similarity NPD3027 Phase 3
0.6902 Remote Similarity NPD5242 Approved
0.6902 Remote Similarity NPD3926 Phase 2
0.6893 Remote Similarity NPD3226 Approved
0.6889 Remote Similarity NPD5353 Approved
0.6886 Remote Similarity NPD1240 Approved
0.6885 Remote Similarity NPD8127 Discontinued
0.6882 Remote Similarity NPD2935 Discontinued
0.6882 Remote Similarity NPD2796 Approved
0.6882 Remote Similarity NPD7177 Discontinued
0.6867 Remote Similarity NPD6859 Clinical (unspecified phase)
0.686 Remote Similarity NPD6674 Discontinued
0.6848 Remote Similarity NPD5710 Approved
0.6848 Remote Similarity NPD5711 Approved
0.6823 Remote Similarity NPD8434 Phase 2
0.6821 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6805 Remote Similarity NPD1607 Approved
0.6798 Remote Similarity NPD7585 Approved
0.6798 Remote Similarity NPD3455 Phase 2
0.6792 Remote Similarity NPD9545 Approved
0.6784 Remote Similarity NPD1551 Phase 2
0.6776 Remote Similarity NPD919 Approved
0.6765 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6763 Remote Similarity NPD7930 Approved
0.6753 Remote Similarity NPD4287 Approved
0.6749 Remote Similarity NPD7583 Approved
0.6747 Remote Similarity NPD4908 Phase 1
0.6746 Remote Similarity NPD1933 Approved
0.6723 Remote Similarity NPD6273 Approved
0.6717 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6716 Remote Similarity NPD5006 Approved
0.6716 Remote Similarity NPD5005 Approved
0.6707 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6703 Remote Similarity NPD4288 Approved
0.6702 Remote Similarity NPD7549 Discontinued
0.67 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6687 Remote Similarity NPD9494 Approved
0.6686 Remote Similarity NPD6099 Approved
0.6686 Remote Similarity NPD6100 Approved
0.6667 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7584 Approved
0.6667 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1470 Approved
0.6667 Remote Similarity NPD7097 Phase 1
0.6667 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6798 Discontinued
0.6667 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6651 Remote Similarity NPD8059 Phase 3
0.6651 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6647 Remote Similarity NPD447 Suspended
0.6647 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6647 Remote Similarity NPD2346 Discontinued
0.663 Remote Similarity NPD6386 Approved
0.663 Remote Similarity NPD6385 Approved
0.6618 Remote Similarity NPD7999 Approved
0.6614 Remote Similarity NPD7799 Discontinued
0.6613 Remote Similarity NPD1247 Approved
0.66 Remote Similarity NPD4420 Approved
0.6597 Remote Similarity NPD5953 Discontinued

Structure

External Identifiers

PubChem CID   5320800
ChEMBL   CHEMBL507308
ZINC  

Physicochemical Properties

Molecular Weight:  938.10
ALogP:  -7.5719
MLogP:  3.11
XLogP:  -0.135
# Rotatable Bonds:  24
Polar Surface Area:  444.18
# H-Bond Aceptor:  11
# H-Bond Donor:  15
# Rings:  7
# Heavy Atoms:  67

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