Natural Product: NPC237202

Natural Product ID:  NPC237202
Common Name:   Punicalagin
IUPAC Name:  
Synonyms:   Punicalagin
Molecular Formula:   C48H28O30
Standard InCHIKey:  ZJVUMAFASBFUBG-RILGRMFESA-N
Standard InCHI:  InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48-/m1/s1
Canonical SMILES:  O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(O)c(O)c4c5c3c(=O)oc3c(c(c(c6c(C(=O)O[C@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c6O)O)c(c(=O)o4)c53)O)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
NPO3811 Granati pericarpium NA NA NA TCMSP*
NPO22893 Apterostigma dentigerum Species Formicidae Eukaryota UNPD*
NPO16414 Thuja plicata Species Cupressaceae Eukaryota UNPD*
NPO21137 Combretum indicum Species Combretaceae Eukaryota TCMSP*
NPO22829 Ozoroa insignis Species Anacardiaceae Eukaryota UNPD*
NPO20511 Chebulae fructus NA NA NA TCMSP*
NPO21282 Aplidium orthium Species Polyclinidae Eukaryota UNPD*
NPO22052 Aspergillus candidus Species Aspergillaceae Eukaryota UNPD*
NPO19899 Crepis foetida Species Asteraceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota TM-MC*
NPO21859 Centaurea nigrescens Species Asteraceae Eukaryota UNPD*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota TM-MC*
NPO20332 Dioscoreophyllum cumminsii Species Menispermaceae Eukaryota UNPD*
NPO23010 Crinum defixum Species Amaryllidaceae Eukaryota UNPD*
NPO28912 Astragalus gummifer Species Fabaceae Eukaryota UNPD*
NPO20146 Cladiella krempfi Species Alcyoniidae Eukaryota UNPD*
NPO20972 Oscillatoria princeps Species Oscillatoriaceae Bacteria UNPD*
NPO21420 Phormia regina Species Calliphoridae Eukaryota UNPD*
NPO22509 Syncolostemon parviflorus Species Lamiaceae Eukaryota UNPD*
NPO20096 Cirsium japonicum Species Asteraceae Eukaryota UNPD*
NPO13355 Selinum carvifolium Species Apiaceae Eukaryota UNPD*
NPO6395 Phedimus kamtschaticus Species Crassulaceae Eukaryota UNPD*
NPO22763 Cuphea carthagenensis Species Lythraceae Eukaryota UNPD*
NPO21227 Aglaia elaeagnoidea Species Meliaceae Eukaryota UNPD*
NPO20779 Garcinia hombroniana Species Clusiaceae Eukaryota UNPD*
NPO21096 Cardiospermum halicacabum Species Sapindaceae Eukaryota UNPD*
NPO21991 Modiolus demissus Species Mytilidae Eukaryota UNPD*
NPO22976 Ruta microcarpa Species Rutaceae Eukaryota UNPD*
NPO29466 Triglochin maritima Species Juncaginaceae Eukaryota UNPD*
NPO20209 Dorstenia lindeniana Species Moraceae Eukaryota UNPD*
NPO22121 Piper arboreum Species Piperaceae Eukaryota UNPD*
NPO23953 Zanthoxylum monophyllum Species Rutaceae Eukaryota UNPD*
NPO22381 Euphorbia segetalis Species Euphorbiaceae Eukaryota UNPD*
NPO22315 Phlogacanthus thyrsiflorus Species Acanthaceae Eukaryota UNPD*
NPO22447 Sidastrum acuminatum Species Malvaceae Eukaryota UNPD*
NPO20842 Beauveria felina Species Cordycipitaceae Eukaryota UNPD*
NPO21473 Urtica triangularis Species Urticaceae Eukaryota UNPD*
NPO22568 Aristolochia elegans Species Aristolochiaceae Eukaryota UNPD*
NPO2780 Brenneria rubrifaciens Species Pectobacteriaceae Bacteria UNPD*
NPO21730 Pouzolzia occidentalis Species Urticaceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota PMID[11520216]
NPO21603 Eskemukerjea megacarpum NA NA NA UNPD*
NPO15144 Combretum molle Species Combretaceae Eukaryota stem bark PMID[19299148]
NPO22250 Parastrephia lepidophylla Species Asteraceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota UNPD*
NPO22635 Penstemon secundiflorus Species Plantaginaceae Eukaryota UNPD*
NPO20652 Phytolacca acinosa Species Phytolaccaceae Eukaryota UNPD*
NPO12088 Conyza canadensis Species Asteraceae Eukaryota UNPD*
NPO12362 Coreopsis fasciculata Species Asteraceae 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 Inhibition > 50 % 1698933
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 32 ug/ml 11277742
NPT326 Individual Protein Squalene monooxygenase Rattus norvegicus IC50 = 40000 nM 11520216
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
NPT2 Others Unspecified Activity = 76 % 2413172
NPT2 Others Unspecified Activity = 85 % 2413172
NPT2 Others Unspecified Activity = 2 % 2413172
NPT2 Others Unspecified Activity = 11 % 2413172
NPT2 Others Unspecified Activity = 19 % 2413172
NPT2 Others Unspecified Activity = 22 % 2413172
NPT2 Others Unspecified Activity = 18 % 2413172
NPT2 Others Unspecified Activity = 9 % 2413172
NPT2 Others Unspecified Activity = 4 % 2413172
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 5.4 mg/kg 10.1021/np50094a030
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 63.4 mmHg 10.1021/np50094a030
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 27.73 ug/ml 19299148
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 = 410 nM 24835197

  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 NPC237202 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9942 High Similarity NPC269046
0.9824 High Similarity NPC129533
0.9824 High Similarity NPC123259
0.9765 High Similarity NPC125352
0.9492 High Similarity NPC477082
0.9477 High Similarity NPC80956
0.9375 High Similarity NPC477083
0.9375 High Similarity NPC477081
0.936 High Similarity NPC297574
0.927 High Similarity NPC40078
0.927 High Similarity NPC97924
0.927 High Similarity NPC471091
0.9266 High Similarity NPC119094
0.9266 High Similarity NPC173872
0.9261 High Similarity NPC469650
0.9249 High Similarity NPC472723
0.9244 High Similarity NPC263119
0.9244 High Similarity NPC166674
0.9244 High Similarity NPC473550
0.9244 High Similarity NPC219600
0.9244 High Similarity NPC34436
0.9244 High Similarity NPC46640
0.924 High Similarity NPC181778
0.9235 High Similarity NPC31034
0.9213 High Similarity NPC472724
0.9213 High Similarity NPC472720
0.9213 High Similarity NPC31208
0.9213 High Similarity NPC93065
0.9213 High Similarity NPC469652
0.9213 High Similarity NPC472721
0.9213 High Similarity NPC160543
0.9213 High Similarity NPC187632
0.92 High Similarity NPC53680
0.92 High Similarity NPC8940
0.92 High Similarity NPC208797
0.9186 High Similarity NPC65333
0.9176 High Similarity NPC49983
0.9176 High Similarity NPC26536
0.9176 High Similarity NPC174140
0.9176 High Similarity NPC142707
0.9176 High Similarity NPC317671
0.9162 High Similarity NPC264302
0.9157 High Similarity NPC290289
0.9157 High Similarity NPC223534
0.9157 High Similarity NPC240200
0.9157 High Similarity NPC7839
0.9157 High Similarity NPC142291
0.9157 High Similarity NPC158214
0.9153 High Similarity NPC261623
0.9153 High Similarity NPC111490
0.9128 High Similarity NPC47521
0.9123 High Similarity NPC217781
0.9118 High Similarity NPC162169
0.9118 High Similarity NPC166851
0.9101 High Similarity NPC469649
0.9101 High Similarity NPC260521
0.9101 High Similarity NPC65489
0.9096 High Similarity NPC231254
0.9075 High Similarity NPC100251
0.9064 High Similarity NPC175793
0.9061 High Similarity NPC476358
0.9029 High Similarity NPC67629
0.9029 High Similarity NPC79736
0.9023 High Similarity NPC98583
0.9012 High Similarity NPC43918
0.9012 High Similarity NPC311389
0.9012 High Similarity NPC261411
0.9012 High Similarity NPC470271
0.9012 High Similarity NPC190204
0.9 High Similarity NPC201814
0.8994 High Similarity NPC179947
0.8977 High Similarity NPC267549
0.8966 High Similarity NPC38438
0.8962 High Similarity NPC189312
0.896 High Similarity NPC149300
0.8944 High Similarity NPC473618
0.8908 High Similarity NPC470272
0.8902 High Similarity NPC473818
0.8876 High Similarity NPC117668
0.887 High Similarity NPC265380
0.8859 High Similarity NPC3474
0.8833 High Similarity NPC112380
0.8827 High Similarity NPC132111
0.882 High Similarity NPC185275
0.8785 High Similarity NPC105591
0.8779 High Similarity NPC14030
0.8779 High Similarity NPC291957
0.8778 High Similarity NPC49690
0.8778 High Similarity NPC318119
0.8765 High Similarity NPC474010
0.8765 High Similarity NPC135222
0.8764 High Similarity NPC471789
0.8743 High Similarity NPC95421
0.8743 High Similarity NPC198125
0.8743 High Similarity NPC658
0.8743 High Similarity NPC197708
0.8736 High Similarity NPC9309
0.8729 High Similarity NPC475220
0.8729 High Similarity NPC221140
0.8729 High Similarity NPC473686
0.8729 High Similarity NPC229817
0.8729 High Similarity NPC475352
0.8728 High Similarity NPC470898
0.8728 High Similarity NPC67959
0.8728 High Similarity NPC121290
0.8722 High Similarity NPC321916
0.8715 High Similarity NPC472726
0.8715 High Similarity NPC472725
0.8713 High Similarity NPC40702
0.8713 High Similarity NPC267627
0.8713 High Similarity NPC37502
0.8708 High Similarity NPC473713
0.8693 High Similarity NPC52598
0.8681 High Similarity NPC269625
0.8663 High Similarity NPC24164
0.8663 High Similarity NPC24627
0.8659 High Similarity NPC476622
0.8659 High Similarity NPC476623
0.8659 High Similarity NPC476621
0.8659 High Similarity NPC476619
0.8659 High Similarity NPC476620
0.8659 High Similarity NPC476618
0.8655 High Similarity NPC247713
0.8644 High Similarity NPC102851
0.8644 High Similarity NPC5786
0.8644 High Similarity NPC67134
0.8644 High Similarity NPC47140
0.8626 High Similarity NPC87583
0.8619 High Similarity NPC473631
0.8619 High Similarity NPC293227
0.8619 High Similarity NPC297503
0.8619 High Similarity NPC97119
0.8619 High Similarity NPC476203
0.8619 High Similarity NPC135831
0.8619 High Similarity NPC473717
0.8619 High Similarity NPC475662
0.8611 High Similarity NPC212290
0.8611 High Similarity NPC471030
0.8611 High Similarity NPC324742
0.8605 High Similarity NPC87317
0.8603 High Similarity NPC255799
0.8596 High Similarity NPC88560
0.8596 High Similarity NPC300845
0.8596 High Similarity NPC291948
0.8596 High Similarity NPC247629
0.8596 High Similarity NPC163165
0.8596 High Similarity NPC318432
0.8596 High Similarity NPC316539
0.8596 High Similarity NPC88803
0.8596 High Similarity NPC104983
0.8596 High Similarity NPC172033
0.8596 High Similarity NPC175230
0.8596 High Similarity NPC239019
0.8596 High Similarity NPC250436
0.8588 High Similarity NPC204937
0.8588 High Similarity NPC149011
0.8588 High Similarity NPC180768
0.8588 High Similarity NPC178134
0.8579 High Similarity NPC97817
0.8579 High Similarity NPC30011
0.8579 High Similarity NPC72554
0.8579 High Similarity NPC475179
0.8564 High Similarity NPC469371
0.8564 High Similarity NPC170203
0.8563 High Similarity NPC476371
0.8563 High Similarity NPC285108
0.8563 High Similarity NPC33298
0.8563 High Similarity NPC12326
0.8563 High Similarity NPC476372
0.8556 High Similarity NPC472387
0.8555 High Similarity NPC53889
0.8555 High Similarity NPC289346
0.8547 High Similarity NPC114179
0.8547 High Similarity NPC68324
0.8547 High Similarity NPC156818
0.8547 High Similarity NPC172419
0.8547 High Similarity NPC160512
0.8547 High Similarity NPC193377
0.8547 High Similarity NPC238419
0.8547 High Similarity NPC289322
0.8547 High Similarity NPC38779
0.8539 High Similarity NPC271848
0.8539 High Similarity NPC212038
0.8539 High Similarity NPC81332
0.8539 High Similarity NPC262580
0.8539 High Similarity NPC289396
0.8533 High Similarity NPC205721
0.8525 High Similarity NPC295625
0.8525 High Similarity NPC104910
0.8525 High Similarity NPC474093
0.8525 High Similarity NPC473554
0.8525 High Similarity NPC470719
0.8525 High Similarity NPC241847
0.8516 High Similarity NPC470718
0.8508 High Similarity NPC153578
0.8508 High Similarity NPC299149
0.8508 High Similarity NPC161609
0.8508 High Similarity NPC275690
0.8508 High Similarity NPC277710
0.8508 High Similarity NPC114257

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC237202 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
0.875 High Similarity NPD7993 Clinical (unspecified phase)
0.8596 High Similarity NPD4868 Clinical (unspecified phase)
0.8588 High Similarity NPD1465 Phase 2
0.8531 High Similarity NPD5844 Phase 1
0.8398 Intermediate Similarity NPD8313 Approved
0.8398 Intermediate Similarity NPD8312 Approved
0.838 Intermediate Similarity NPD7074 Phase 3
0.8278 Intermediate Similarity NPD7472 Approved
0.827 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8222 Intermediate Similarity NPD7054 Approved
0.8192 Intermediate Similarity NPD6959 Discontinued
0.8167 Intermediate Similarity NPD3818 Discontinued
0.8167 Intermediate Similarity NPD7228 Approved
0.8161 Intermediate Similarity NPD8455 Phase 2
0.8156 Intermediate Similarity NPD6166 Phase 2
0.8156 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8156 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8142 Intermediate Similarity NPD7808 Phase 3
0.8142 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8132 Intermediate Similarity NPD6797 Phase 2
0.8112 Intermediate Similarity NPD8151 Discontinued
0.8087 Intermediate Similarity NPD7251 Discontinued
0.8045 Intermediate Similarity NPD6232 Discontinued
0.7923 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7921 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7912 Intermediate Similarity NPD7473 Discontinued
0.7895 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD6234 Discontinued
0.7857 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7853 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7797 Intermediate Similarity NPD1934 Approved
0.7797 Intermediate Similarity NPD37 Approved
0.7796 Intermediate Similarity NPD7240 Approved
0.7796 Intermediate Similarity NPD6559 Discontinued
0.779 Intermediate Similarity NPD7199 Phase 2
0.7765 Intermediate Similarity NPD4965 Approved
0.7765 Intermediate Similarity NPD4967 Phase 2
0.7765 Intermediate Similarity NPD4966 Approved
0.7761 Intermediate Similarity NPD7783 Phase 2
0.7761 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD7819 Suspended
0.7684 Intermediate Similarity NPD4380 Phase 2
0.767 Intermediate Similarity NPD1653 Approved
0.7667 Intermediate Similarity NPD7768 Phase 2
0.7637 Intermediate Similarity NPD5494 Approved
0.7632 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7624 Intermediate Similarity NPD3749 Approved
0.7624 Intermediate Similarity NPD7075 Discontinued
0.7609 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD7685 Pre-registration
0.7556 Intermediate Similarity NPD2801 Approved
0.7542 Intermediate Similarity NPD7411 Suspended
0.7514 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD3817 Phase 2
0.75 Intermediate Similarity NPD6801 Discontinued
0.7487 Intermediate Similarity NPD3751 Discontinued
0.7473 Intermediate Similarity NPD3882 Suspended
0.7459 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD3787 Discontinued
0.743 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD7680 Approved
0.7413 Intermediate Similarity NPD7435 Discontinued
0.7387 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD7871 Phase 2
0.7376 Intermediate Similarity NPD7870 Phase 2
0.7371 Intermediate Similarity NPD3750 Approved
0.735 Intermediate Similarity NPD6776 Approved
0.735 Intermediate Similarity NPD6780 Approved
0.735 Intermediate Similarity NPD6779 Approved
0.735 Intermediate Similarity NPD6781 Approved
0.735 Intermediate Similarity NPD6778 Approved
0.735 Intermediate Similarity NPD6782 Approved
0.735 Intermediate Similarity NPD6777 Approved
0.7345 Intermediate Similarity NPD1511 Approved
0.7327 Intermediate Similarity NPD7696 Phase 3
0.7327 Intermediate Similarity NPD7698 Approved
0.7327 Intermediate Similarity NPD7697 Approved
0.7322 Intermediate Similarity NPD5402 Approved
0.7291 Intermediate Similarity NPD8319 Approved
0.7291 Intermediate Similarity NPD8320 Phase 1
0.7282 Intermediate Similarity NPD7874 Approved
0.7282 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD7701 Phase 2
0.7263 Intermediate Similarity NPD1512 Approved
0.7247 Intermediate Similarity NPD7390 Discontinued
0.7247 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD7458 Discontinued
0.7232 Intermediate Similarity NPD6190 Approved
0.7219 Intermediate Similarity NPD8127 Discontinued
0.7216 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD230 Phase 1
0.7207 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD2532 Approved
0.7207 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD2533 Approved
0.7207 Intermediate Similarity NPD2534 Approved
0.72 Intermediate Similarity NPD7266 Discontinued
0.7175 Intermediate Similarity NPD4628 Phase 3
0.7164 Intermediate Similarity NPD7699 Phase 2
0.7164 Intermediate Similarity NPD7700 Phase 2
0.7159 Intermediate Similarity NPD1549 Phase 2
0.7151 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD1613 Approved
0.7143 Intermediate Similarity NPD3226 Approved
0.7143 Intermediate Similarity NPD8150 Discontinued
0.7127 Intermediate Similarity NPD5403 Approved
0.7119 Intermediate Similarity NPD6674 Discontinued
0.7112 Intermediate Similarity NPD919 Approved
0.7111 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6823 Phase 2
0.7103 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD6535 Approved
0.71 Intermediate Similarity NPD6534 Approved
0.709 Intermediate Similarity NPD7229 Phase 3
0.7086 Intermediate Similarity NPD3748 Approved
0.7081 Intermediate Similarity NPD7801 Approved
0.7079 Intermediate Similarity NPD7003 Approved
0.7062 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD6799 Approved
0.7031 Intermediate Similarity NPD7177 Discontinued
0.7019 Intermediate Similarity NPD7585 Approved
0.7017 Intermediate Similarity NPD5401 Approved
0.7011 Intermediate Similarity NPD6599 Discontinued
0.6978 Remote Similarity NPD6273 Approved
0.6971 Remote Similarity NPD7583 Approved
0.697 Remote Similarity NPD8434 Phase 2
0.6963 Remote Similarity NPD3926 Phase 2
0.6959 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6949 Remote Similarity NPD5404 Approved
0.6949 Remote Similarity NPD5405 Approved
0.6949 Remote Similarity NPD5406 Approved
0.6949 Remote Similarity NPD5408 Approved
0.6946 Remote Similarity NPD8090 Clinical (unspecified phase)
0.694 Remote Similarity NPD920 Approved
0.6927 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6919 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6893 Remote Similarity NPD1510 Phase 2
0.6889 Remote Similarity NPD8166 Discontinued
0.6889 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6881 Remote Similarity NPD6213 Phase 3
0.6881 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6881 Remote Similarity NPD6212 Phase 3
0.6881 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6879 Remote Similarity NPD3027 Phase 3
0.6859 Remote Similarity NPD1247 Approved
0.6854 Remote Similarity NPD2796 Approved
0.6854 Remote Similarity NPD2935 Discontinued
0.6853 Remote Similarity NPD7549 Discontinued
0.6839 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6839 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6831 Remote Similarity NPD642 Clinical (unspecified phase)
0.6823 Remote Similarity NPD5711 Approved
0.6823 Remote Similarity NPD5710 Approved
0.6818 Remote Similarity NPD447 Suspended
0.6816 Remote Similarity NPD4287 Approved
0.6816 Remote Similarity NPD2346 Discontinued
0.681 Remote Similarity NPD7584 Approved
0.6788 Remote Similarity NPD5242 Approved
0.6772 Remote Similarity NPD5353 Approved
0.6767 Remote Similarity NPD8153 Approved
0.6767 Remote Similarity NPD8152 Approved
0.6761 Remote Similarity NPD943 Approved
0.676 Remote Similarity NPD1551 Phase 2
0.6751 Remote Similarity NPD5953 Discontinued
0.6744 Remote Similarity NPD7930 Approved
0.6743 Remote Similarity NPD3764 Approved
0.6742 Remote Similarity NPD7097 Phase 1
0.674 Remote Similarity NPD2800 Approved
0.674 Remote Similarity NPD1243 Approved
0.6735 Remote Similarity NPD7286 Phase 2
0.6724 Remote Similarity NPD4908 Phase 1
0.6723 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6723 Remote Similarity NPD5124 Phase 1
0.6723 Remote Similarity NPD1933 Approved
0.6721 Remote Similarity NPD643 Clinical (unspecified phase)
0.6717 Remote Similarity NPD7039 Approved
0.6717 Remote Similarity NPD7038 Approved
0.6704 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6703 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6702 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6684 Remote Similarity NPD4288 Approved
0.6667 Remote Similarity NPD4060 Phase 1
0.6667 Remote Similarity NPD6099 Approved
0.6667 Remote Similarity NPD1240 Approved
0.6667 Remote Similarity NPD9269 Phase 2
0.6667 Remote Similarity NPD6100 Approved
0.665 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6648 Remote Similarity NPD6798 Discontinued
0.6637 Remote Similarity NPD8059 Phase 3
0.6637 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6635 Remote Similarity NPD8285 Discontinued
0.6617 Remote Similarity NPD8053 Approved
0.6617 Remote Similarity NPD8054 Approved
0.6611 Remote Similarity NPD2799 Discontinued
0.6611 Remote Similarity NPD651 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   16148440
ChEMBL   CHEMBL506814
ZINC  

Physicochemical Properties

Molecular Weight:  1084.07
ALogP:  -8.5836
MLogP:  3.44
XLogP:  -2.667
# Rotatable Bonds:  17
Polar Surface Area:  510.94
# H-Bond Aceptor:  12
# H-Bond Donor:  17
# Rings:  11
# Heavy Atoms:  78

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs