Natural Product: NPC33378

Natural Product ID:  NPC33378
Common Name:   Physalin F
IUPAC Name:  
Synonyms:   Physalin F
Molecular Formula:   C28H30O10
Standard InCHIKey:  VSLWNSSUMFSGFF-DKOLRWHASA-N
Standard InCHI:  InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25+,26+,27+,28-/m0/s1
Canonical SMILES:  O=C1O[C@@H]2C[C@@]3([C@H]1CO[C@@]14C(=O)[C@@H]3[C@@]3([C@@]2(C)OC(=O)[C@]3(O)CC[C@H]2[C@H]4C[C@H]3O[C@]43[C@]2(C)C(=O)C=CC4)O1)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
NPO14304.1 Physalis alkekengi var. franchetii Varieties Solanaceae Eukaryota calyces Yilan, Heilongjiang Province, China 2004-SEP PMID[18348534]
NPO5518 Thuja dolabrata Species Cupressaceae Eukaryota UNPD*
NPO6523 Streptococcus pneumoniae Species Streptococcaceae Bacteria UNPD*
NPO7377 Hemiphragma heterophyllum Species Plantaginaceae Eukaryota UNPD*
NPO4411 Plantago ovata Species Plantaginaceae Eukaryota UNPD*
NPO4204 Ochradenus baccatus Species Resedaceae Eukaryota UNPD*
NPO1244 Trimusculus conica Species Trimusculidae Eukaryota UNPD*
NPO6722 Anaphalis margaritacea Species Asteraceae Eukaryota UNPD*
NPO9099 Carissa spinarum Species Apocynaceae Eukaryota UNPD*
NPO586 Lomandra hastilis Species Asparagaceae Eukaryota UNPD*
NPO518 Mercurialis leiocarpa Species Euphorbiaceae Eukaryota UNPD*
NPO3913 Alcea nudiflora Species Malvaceae Eukaryota UNPD*
NPO958 Tambja ceutae Species Polyceridae Eukaryota UNPD*
NPO27244 Dysosma pleiantha Species Berberidaceae Eukaryota UNPD*
NPO798 Chloranthus holostegius Species Chloranthaceae Eukaryota UNPD*
NPO4050 Boronia lanceolata Species Rutaceae Eukaryota UNPD*
NPO4125 Corydalis crystallina Species Papaveraceae Eukaryota UNPD*
NPO1680 Physalis angulata Species Solanaceae Eukaryota PMID[21954931]
NPO4350 Chlorella pyrenoidosa Species Chlorellaceae Eukaryota UNPD*
NPO7093 Oncorhynchus keta Species Salmonidae Eukaryota UNPD*
NPO241 Teucrium cossonii Species Lamiaceae Eukaryota UNPD*
NPO7161 Capparis angulata Species Capparaceae Eukaryota UNPD*
NPO2339 Turnera ulmifolia Species Passifloraceae Eukaryota UNPD*
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota TM-MC*
NPO6107 Acacia lemmoni Species Fabaceae Eukaryota UNPD*
NPO6951 Dictyota spinulosa Species Dictyotaceae Eukaryota UNPD*
NPO4847 Lasianthus wallichii Species Rubiaceae Eukaryota UNPD*
NPO3456 Eucalyptus campanulata Species Myrtaceae Eukaryota UNPD*
NPO10450 Clerodendrum infortunatum Species Lamiaceae Eukaryota UNPD*
NPO4773 Pteromys volans Species Sciuridae Eukaryota UNPD*
NPO1814 Euphorbia cattimandoo Species Euphorbiaceae Eukaryota UNPD*
NPO5809 Xanthoparmelia tinctina Species Parmeliaceae Eukaryota UNPD*
NPO3528 Cinnamomum pedunculatum Species Lauraceae Eukaryota UNPD*
NPO5739 Rubus foliolosus Species Rosaceae Eukaryota UNPD*
NPO15684 Bipolaris maydis Species Pleosporaceae Eukaryota UNPD*
NPO16714 Campanula pendula Species Campanulaceae Eukaryota UNPD*
NPO6345 Podocarpus sellowii Species Podocarpaceae Eukaryota UNPD*
NPO1977 Arum montanum Species Araceae Eukaryota UNPD*
NPO6421 Neolitsea sericea Species Lauraceae Eukaryota UNPD*
NPO1659 Primula denticulata Species Primulaceae Eukaryota UNPD*
NPO3023 Achillea pratensis Species Asteraceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota UNPD*
NPO7640 Klaseopsis chinensis Species Asteraceae Eukaryota UNPD*
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT858 Cell Line LNCaP Homo sapiens EC50 = 1 ug/ml 17580910
NPT91 Cell Line KB Homo sapiens EC50 = 0.9 ug/ml 17580910
NPT2 Others Unspecified EC50 = 1.9 ug/ml 17580910
NPT762 Cell Line A-431 Homo sapiens EC50 = 1.1 ug/ml 17580910
NPT81 Cell Line A549 Homo sapiens EC50 = 1.3 ug/ml 17580910
NPT180 Cell Line HCT-8 Homo sapiens EC50 = 1 ug/ml 17580910
NPT306 Cell Line PC-3 Homo sapiens EC50 = 1.1 ug/ml 17580910
NPT133 Cell Line ZR-75-1 Homo sapiens EC50 = 0.3 ug/ml 17580910
NPT319 Cell Line B16 Mus musculus IC50 = 0.5 ug/ml 18053728
NPT180 Cell Line HCT-8 Homo sapiens IC50 = 0.5 ug/ml 18053728
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 0.5 ug/ml 18053728
NPT116 Cell Line HL-60 Homo sapiens IC50 = 0.5 ug/ml 18053728
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 9.4 ug/ml 18053728
NPT885 Cell Line PBL IC50 = 4.23 ug/ml 18053728
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 330 nM 18348534
NPT1896 Individual Protein Zinc finger protein GLI1 Homo sapiens IC50 = 660 nM 19309080
NPT2 Others Unspecified Ratio IC50 = 2 19309080
NPT165 Cell Line HeLa Homo sapiens IC50 = 2000 nM 16562828
NPT2 Others Unspecified Activity = 7 % 16562828
NPT2 Others Unspecified Activity = 20 % 16562828
NPT15 Cell Line Jurkat Homo sapiens Activity = 2.71 % 16562828
NPT15 Cell Line Jurkat Homo sapiens Activity = 2.07 % 16562828
NPT15 Cell Line Jurkat Homo sapiens Activity = 1.64 % 16562828
NPT15 Cell Line Jurkat Homo sapiens Activity = 50.2 % 16562828
NPT15 Cell Line Jurkat Homo sapiens Activity = 58.2 % 16562828
NPT15 Cell Line Jurkat Homo sapiens Activity = 64.6 % 16562828
NPT2 Others Unspecified IC50 = 660 nM 20708941
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2200 nM 21954931
NPT2 Others Unspecified LC50 = 13300 nM 21954931
NPT2601 Individual Protein NF-kappaB inhibitor alpha Homo sapiens Inhibition = 45.2 % 24900739
NPT2 Others Unspecified Ratio IC50 = 10 24900739
NPT2601 Individual Protein NF-kappaB inhibitor alpha Homo sapiens IC50 = 27100 nM 24900739
NPT2 Others Unspecified IC50 = 2530 nM 24900739

  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 NPC33378 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 NPC254146
1.0 High Similarity NPC6274
0.9672 High Similarity NPC254614
0.9672 High Similarity NPC100390
0.9508 High Similarity NPC264192
0.9268 High Similarity NPC188291
0.9213 High Similarity NPC243014
0.8906 High Similarity NPC242486
0.8906 High Similarity NPC15215
0.8898 High Similarity NPC102316
0.8828 High Similarity NPC168879
0.878 High Similarity NPC477046
0.878 High Similarity NPC102822
0.877 High Similarity NPC469488
0.8689 High Similarity NPC17772
0.8618 High Similarity NPC470777
0.8537 High Similarity NPC297179
0.8537 High Similarity NPC188667
0.8537 High Similarity NPC204552
0.8455 Intermediate Similarity NPC474654
0.8455 Intermediate Similarity NPC122033
0.8455 Intermediate Similarity NPC97908
0.8455 Intermediate Similarity NPC470854
0.8455 Intermediate Similarity NPC287343
0.8425 Intermediate Similarity NPC24651
0.84 Intermediate Similarity NPC112038
0.8374 Intermediate Similarity NPC251236
0.8374 Intermediate Similarity NPC207217
0.8374 Intermediate Similarity NPC40632
0.8374 Intermediate Similarity NPC134869
0.8374 Intermediate Similarity NPC96312
0.8374 Intermediate Similarity NPC235539
0.8374 Intermediate Similarity NPC152199
0.8374 Intermediate Similarity NPC328374
0.8372 Intermediate Similarity NPC295220
0.8372 Intermediate Similarity NPC475636
0.8361 Intermediate Similarity NPC49451
0.8359 Intermediate Similarity NPC225049
0.8308 Intermediate Similarity NPC54614
0.8308 Intermediate Similarity NPC309096
0.8293 Intermediate Similarity NPC268238
0.8293 Intermediate Similarity NPC143268
0.8293 Intermediate Similarity NPC45218
0.8293 Intermediate Similarity NPC473798
0.8293 Intermediate Similarity NPC18547
0.8293 Intermediate Similarity NPC323821
0.8293 Intermediate Similarity NPC474906
0.8281 Intermediate Similarity NPC470922
0.8279 Intermediate Similarity NPC474516
0.8279 Intermediate Similarity NPC11252
0.8279 Intermediate Similarity NPC289312
0.8268 Intermediate Similarity NPC312833
0.824 Intermediate Similarity NPC470776
0.8226 Intermediate Similarity NPC16081
0.8226 Intermediate Similarity NPC173686
0.8226 Intermediate Similarity NPC270478
0.8211 Intermediate Similarity NPC208998
0.8211 Intermediate Similarity NPC7921
0.8203 Intermediate Similarity NPC227397
0.8203 Intermediate Similarity NPC67251
0.8203 Intermediate Similarity NPC105926
0.8203 Intermediate Similarity NPC91693
0.8203 Intermediate Similarity NPC18945
0.8203 Intermediate Similarity NPC265557
0.8197 Intermediate Similarity NPC201992
0.8182 Intermediate Similarity NPC474242
0.8175 Intermediate Similarity NPC268958
0.8148 Intermediate Similarity NPC596
0.814 Intermediate Similarity NPC473255
0.814 Intermediate Similarity NPC476729
0.8115 Intermediate Similarity NPC474567
0.811 Intermediate Similarity NPC107338
0.811 Intermediate Similarity NPC109607
0.8106 Intermediate Similarity NPC476855
0.8106 Intermediate Similarity NPC476862
0.8106 Intermediate Similarity NPC476852
0.8106 Intermediate Similarity NPC476863
0.8095 Intermediate Similarity NPC251310
0.8092 Intermediate Similarity NPC473620
0.8077 Intermediate Similarity NPC181999
0.8077 Intermediate Similarity NPC87662
0.8074 Intermediate Similarity NPC471089
0.8074 Intermediate Similarity NPC190065
0.8074 Intermediate Similarity NPC141215
0.8065 Intermediate Similarity NPC51978
0.8065 Intermediate Similarity NPC198539
0.8049 Intermediate Similarity NPC146945
0.8049 Intermediate Similarity NPC171888
0.8047 Intermediate Similarity NPC470779
0.8047 Intermediate Similarity NPC275675
0.8045 Intermediate Similarity NPC180902
0.8045 Intermediate Similarity NPC475139
0.8031 Intermediate Similarity NPC473203
0.8031 Intermediate Similarity NPC476529
0.8031 Intermediate Similarity NPC475775
0.803 Intermediate Similarity NPC470880
0.803 Intermediate Similarity NPC476854
0.803 Intermediate Similarity NPC476851
0.8016 Intermediate Similarity NPC176513
0.8016 Intermediate Similarity NPC27999
0.8016 Intermediate Similarity NPC477116
0.8016 Intermediate Similarity NPC470775
0.8015 Intermediate Similarity NPC295885
0.8015 Intermediate Similarity NPC140045
0.8015 Intermediate Similarity NPC476008
0.8015 Intermediate Similarity NPC305496
0.8015 Intermediate Similarity NPC470882
0.8015 Intermediate Similarity NPC473253
0.8 Intermediate Similarity NPC243354
0.8 Intermediate Similarity NPC262813
0.7984 Intermediate Similarity NPC205534
0.7955 Intermediate Similarity NPC476859
0.7951 Intermediate Similarity NPC293850
0.7941 Intermediate Similarity NPC251998
0.7939 Intermediate Similarity NPC285091
0.7939 Intermediate Similarity NPC217901
0.7939 Intermediate Similarity NPC477745
0.7939 Intermediate Similarity NPC473635
0.7937 Intermediate Similarity NPC259306
0.7937 Intermediate Similarity NPC474734
0.7937 Intermediate Similarity NPC474046
0.7937 Intermediate Similarity NPC470628
0.7926 Intermediate Similarity NPC100017
0.7926 Intermediate Similarity NPC471136
0.7926 Intermediate Similarity NPC475500
0.7926 Intermediate Similarity NPC182266
0.7926 Intermediate Similarity NPC473548
0.7926 Intermediate Similarity NPC223356
0.7926 Intermediate Similarity NPC475154
0.7926 Intermediate Similarity NPC471137
0.7923 Intermediate Similarity NPC120724
0.792 Intermediate Similarity NPC194273
0.792 Intermediate Similarity NPC320118
0.7903 Intermediate Similarity NPC474229
0.7903 Intermediate Similarity NPC471243
0.7895 Intermediate Similarity NPC162495
0.7891 Intermediate Similarity NPC127530
0.7891 Intermediate Similarity NPC473920
0.7891 Intermediate Similarity NPC279143
0.7879 Intermediate Similarity NPC287423
0.7879 Intermediate Similarity NPC473265
0.7879 Intermediate Similarity NPC470780
0.7879 Intermediate Similarity NPC168849
0.7879 Intermediate Similarity NPC475273
0.7874 Intermediate Similarity NPC473590
0.7874 Intermediate Similarity NPC309433
0.7869 Intermediate Similarity NPC3316
0.7869 Intermediate Similarity NPC144854
0.7857 Intermediate Similarity NPC469877
0.7857 Intermediate Similarity NPC470919
0.7857 Intermediate Similarity NPC299849
0.7857 Intermediate Similarity NPC117712
0.7852 Intermediate Similarity NPC478151
0.7846 Intermediate Similarity NPC471965
0.7846 Intermediate Similarity NPC170538
0.784 Intermediate Similarity NPC90769
0.784 Intermediate Similarity NPC302146
0.7836 Intermediate Similarity NPC251564
0.7836 Intermediate Similarity NPC477189
0.7836 Intermediate Similarity NPC475314
0.7836 Intermediate Similarity NPC475606
0.7829 Intermediate Similarity NPC241192
0.7812 Intermediate Similarity NPC473720
0.7812 Intermediate Similarity NPC106644
0.7812 Intermediate Similarity NPC318751
0.781 Intermediate Similarity NPC68282
0.7805 Intermediate Similarity NPC154608
0.7805 Intermediate Similarity NPC192813
0.7805 Intermediate Similarity NPC277017
0.7803 Intermediate Similarity NPC293112
0.7803 Intermediate Similarity NPC47113
0.7803 Intermediate Similarity NPC174367
0.7795 Intermediate Similarity NPC190185
0.7795 Intermediate Similarity NPC477509
0.7795 Intermediate Similarity NPC179626
0.7795 Intermediate Similarity NPC213084
0.7787 Intermediate Similarity NPC181357
0.7786 Intermediate Similarity NPC202666
0.7786 Intermediate Similarity NPC267822
0.7786 Intermediate Similarity NPC11895
0.7786 Intermediate Similarity NPC471961
0.7786 Intermediate Similarity NPC478066
0.7786 Intermediate Similarity NPC471964
0.7786 Intermediate Similarity NPC262199
0.7786 Intermediate Similarity NPC14617
0.7778 Intermediate Similarity NPC471855
0.7778 Intermediate Similarity NPC473485
0.7778 Intermediate Similarity NPC478150
0.7778 Intermediate Similarity NPC477126
0.7778 Intermediate Similarity NPC477266
0.7778 Intermediate Similarity NPC474508
0.7778 Intermediate Similarity NPC478153
0.7778 Intermediate Similarity NPC478154
0.7778 Intermediate Similarity NPC478152
0.7769 Intermediate Similarity NPC75417
0.7769 Intermediate Similarity NPC470921
0.7761 Intermediate Similarity NPC473593
0.7752 Intermediate Similarity NPC319570
0.7752 Intermediate Similarity NPC161065
0.7744 Intermediate Similarity NPC42399

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC33378 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
0.7863 Intermediate Similarity NPD7492 Approved
0.7829 Intermediate Similarity NPD6054 Approved
0.782 Intermediate Similarity NPD7736 Approved
0.7803 Intermediate Similarity NPD6616 Approved
0.7786 Intermediate Similarity NPD8328 Phase 3
0.7769 Intermediate Similarity NPD6016 Approved
0.7769 Intermediate Similarity NPD6015 Approved
0.7744 Intermediate Similarity NPD7078 Approved
0.771 Intermediate Similarity NPD6370 Approved
0.771 Intermediate Similarity NPD5988 Approved
0.7692 Intermediate Similarity NPD6319 Approved
0.7557 Intermediate Similarity NPD6059 Approved
0.7481 Intermediate Similarity NPD8293 Discontinued
0.7462 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7462 Intermediate Similarity NPD6009 Approved
0.7422 Intermediate Similarity NPD6882 Approved
0.7381 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD8297 Approved
0.7246 Intermediate Similarity NPD7319 Approved
0.7231 Intermediate Similarity NPD4632 Approved
0.7222 Intermediate Similarity NPD6008 Approved
0.7209 Intermediate Similarity NPD6649 Approved
0.7209 Intermediate Similarity NPD6650 Approved
0.7197 Intermediate Similarity NPD7115 Discovery
0.7165 Intermediate Similarity NPD5697 Approved
0.7109 Intermediate Similarity NPD6899 Approved
0.7109 Intermediate Similarity NPD6881 Approved
0.7054 Intermediate Similarity NPD6012 Approved
0.7054 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD6013 Approved
0.7054 Intermediate Similarity NPD6372 Approved
0.7054 Intermediate Similarity NPD6014 Approved
0.7054 Intermediate Similarity NPD6373 Approved
0.705 Intermediate Similarity NPD6033 Approved
0.7029 Intermediate Similarity NPD7507 Approved
0.7007 Intermediate Similarity NPD7604 Phase 2
0.7 Intermediate Similarity NPD4634 Approved
0.7 Intermediate Similarity NPD7102 Approved
0.7 Intermediate Similarity NPD7290 Approved
0.7 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6883 Approved
0.6985 Remote Similarity NPD5983 Phase 2
0.6977 Remote Similarity NPD7320 Approved
0.6977 Remote Similarity NPD6011 Approved
0.6953 Remote Similarity NPD6402 Approved
0.6953 Remote Similarity NPD5739 Approved
0.6953 Remote Similarity NPD6675 Approved
0.6953 Remote Similarity NPD7128 Approved
0.6947 Remote Similarity NPD8130 Phase 1
0.6947 Remote Similarity NPD6869 Approved
0.6947 Remote Similarity NPD6617 Approved
0.6947 Remote Similarity NPD6847 Approved
0.6923 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6899 Remote Similarity NPD5701 Approved
0.6899 Remote Similarity NPD6412 Phase 2
0.6861 Remote Similarity NPD8513 Phase 3
0.6861 Remote Similarity NPD8515 Approved
0.6861 Remote Similarity NPD8517 Approved
0.6861 Remote Similarity NPD8516 Approved
0.6861 Remote Similarity NPD6921 Approved
0.6846 Remote Similarity NPD6686 Approved
0.6786 Remote Similarity NPD6336 Discontinued
0.6769 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6746 Remote Similarity NPD5696 Approved
0.6715 Remote Similarity NPD7516 Approved
0.6713 Remote Similarity NPD5956 Approved
0.6694 Remote Similarity NPD5282 Discontinued
0.6693 Remote Similarity NPD5286 Approved
0.6693 Remote Similarity NPD5285 Approved
0.6693 Remote Similarity NPD4696 Approved
0.6642 Remote Similarity NPD7327 Approved
0.6642 Remote Similarity NPD7328 Approved
0.6641 Remote Similarity NPD1700 Approved
0.6619 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6618 Remote Similarity NPD6274 Approved
0.6614 Remote Similarity NPD4225 Approved
0.6612 Remote Similarity NPD3573 Approved
0.6594 Remote Similarity NPD7101 Approved
0.6594 Remote Similarity NPD7100 Approved
0.6589 Remote Similarity NPD5224 Approved
0.6589 Remote Similarity NPD5225 Approved
0.6589 Remote Similarity NPD5211 Phase 2
0.6589 Remote Similarity NPD4633 Approved
0.6589 Remote Similarity NPD5226 Approved
0.6569 Remote Similarity NPD6317 Approved
0.6567 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6552 Remote Similarity NPD7260 Phase 2
0.6538 Remote Similarity NPD5175 Approved
0.6538 Remote Similarity NPD5174 Approved
0.6535 Remote Similarity NPD7902 Approved
0.6535 Remote Similarity NPD4755 Approved
0.6522 Remote Similarity NPD6314 Approved
0.6522 Remote Similarity NPD6313 Approved
0.6522 Remote Similarity NPD6335 Approved
0.6515 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6512 Remote Similarity NPD5223 Approved
0.6503 Remote Similarity NPD8074 Phase 3
0.65 Remote Similarity NPD7503 Approved
0.65 Remote Similarity NPD8380 Approved
0.65 Remote Similarity NPD8033 Approved
0.65 Remote Similarity NPD8379 Approved
0.65 Remote Similarity NPD8378 Approved
0.65 Remote Similarity NPD8296 Approved
0.65 Remote Similarity NPD8335 Approved
0.6489 Remote Similarity NPD5141 Approved
0.6466 Remote Similarity NPD4730 Approved
0.6466 Remote Similarity NPD4729 Approved
0.6457 Remote Similarity NPD5221 Approved
0.6457 Remote Similarity NPD5222 Approved
0.6457 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6444 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6434 Remote Similarity NPD4700 Approved
0.6429 Remote Similarity NPD7748 Approved
0.6429 Remote Similarity NPD8294 Approved
0.6429 Remote Similarity NPD8377 Approved
0.6406 Remote Similarity NPD6084 Phase 2
0.6406 Remote Similarity NPD5173 Approved
0.6406 Remote Similarity NPD6083 Phase 2
0.6395 Remote Similarity NPD6845 Suspended
0.6395 Remote Similarity NPD8338 Approved
0.6378 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6378 Remote Similarity NPD4629 Approved
0.6378 Remote Similarity NPD5695 Phase 3
0.6378 Remote Similarity NPD5210 Approved
0.6377 Remote Similarity NPD6868 Approved
0.637 Remote Similarity NPD5251 Approved
0.637 Remote Similarity NPD5248 Approved
0.637 Remote Similarity NPD5250 Approved
0.637 Remote Similarity NPD5249 Phase 3
0.637 Remote Similarity NPD5247 Approved
0.635 Remote Similarity NPD8133 Approved
0.6349 Remote Similarity NPD6399 Phase 3
0.6333 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6328 Remote Similarity NPD4697 Phase 3
0.6316 Remote Similarity NPD4767 Approved
0.6316 Remote Similarity NPD4768 Approved
0.6299 Remote Similarity NPD7900 Approved
0.6299 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6294 Remote Similarity NPD6067 Discontinued
0.6291 Remote Similarity NPD6334 Approved
0.6291 Remote Similarity NPD6333 Approved
0.627 Remote Similarity NPD6079 Approved
0.627 Remote Similarity NPD6411 Approved
0.627 Remote Similarity NPD7515 Phase 2
0.6268 Remote Similarity NPD6908 Approved
0.6268 Remote Similarity NPD6909 Approved
0.626 Remote Similarity NPD5344 Discontinued
0.625 Remote Similarity NPD6371 Approved
0.625 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6229 Remote Similarity NPD8407 Phase 2
0.6222 Remote Similarity NPD5128 Approved
0.6204 Remote Similarity NPD5217 Approved
0.6204 Remote Similarity NPD5216 Approved
0.6204 Remote Similarity NPD5215 Approved
0.6199 Remote Similarity NPD7799 Discontinued
0.6165 Remote Similarity NPD4754 Approved
0.616 Remote Similarity NPD6672 Approved
0.616 Remote Similarity NPD5737 Approved
0.6159 Remote Similarity NPD6053 Discontinued
0.6149 Remote Similarity NPD8368 Discontinued
0.6131 Remote Similarity NPD5135 Approved
0.6131 Remote Similarity NPD5169 Approved
0.6131 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6129 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6129 Remote Similarity NPD3618 Phase 1
0.6122 Remote Similarity NPD8337 Approved
0.6122 Remote Similarity NPD8336 Approved
0.6119 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6111 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6101 Approved
0.6111 Remote Similarity NPD5328 Approved
0.6107 Remote Similarity NPD7638 Approved
0.6087 Remote Similarity NPD5127 Approved
0.6069 Remote Similarity NPD7642 Approved
0.6063 Remote Similarity NPD6698 Approved
0.6063 Remote Similarity NPD46 Approved
0.6061 Remote Similarity NPD6648 Approved
0.6061 Remote Similarity NPD7639 Approved
0.6061 Remote Similarity NPD7640 Approved
0.6047 Remote Similarity NPD6001 Approved
0.6014 Remote Similarity NPD4522 Approved
0.6 Remote Similarity NPD8080 Discontinued
0.5985 Remote Similarity NPD5168 Approved
0.5984 Remote Similarity NPD6080 Approved
0.5984 Remote Similarity NPD6904 Approved
0.5984 Remote Similarity NPD4753 Phase 2
0.5984 Remote Similarity NPD6673 Approved
0.5969 Remote Similarity NPD5779 Approved
0.5969 Remote Similarity NPD5778 Approved
0.5969 Remote Similarity NPD4202 Approved
0.5959 Remote Similarity NPD7829 Approved
0.5959 Remote Similarity NPD7830 Approved
0.5957 Remote Similarity NPD5167 Approved
0.5922 Remote Similarity NPD8055 Clinical (unspecified phase)
0.592 Remote Similarity NPD1694 Approved
0.5912 Remote Similarity NPD8435 Approved
0.5912 Remote Similarity NPD6614 Approved
0.5906 Remote Similarity NPD6903 Approved
0.5906 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5902 Remote Similarity NPD4695 Discontinued

Structure

External Identifiers

PubChem CID   49864133
ChEMBL   CHEMBL1215434
ZINC  

Physicochemical Properties

Molecular Weight:  526.18
ALogP:  -1.2344
MLogP:  3.44
XLogP:  -0.4
# Rotatable Bonds:  4
Polar Surface Area:  137.96
# H-Bond Aceptor:  10
# H-Bond Donor:  1
# Rings:  9
# Heavy Atoms:  38

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