Natural Product: NPC123259

Natural Product ID:  NPC123259
Common Name:   Punicalin
IUPAC Name:  
Synonyms:   Pumcalin; Punicalin
Molecular Formula:   C34H22O22
Standard InCHIKey:  IQHIEHIKNWLKFB-ITTSEVFZSA-N
Standard InCHI:  InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2/t8-,25-,26-,27-,34-/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]([C@H]1O)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
NPO20209 Dorstenia lindeniana Species Moraceae Eukaryota UNPD*
NPO21603 Eskemukerjea megacarpum NA NA NA UNPD*
NPO20652 Phytolacca acinosa Species Phytolaccaceae Eukaryota UNPD*
NPO12088 Conyza canadensis Species Asteraceae Eukaryota UNPD*
NPO21730 Pouzolzia occidentalis Species Urticaceae Eukaryota UNPD*
NPO22635 Penstemon secundiflorus Species Plantaginaceae Eukaryota UNPD*
NPO22763 Cuphea carthagenensis Species Lythraceae Eukaryota UNPD*
NPO20096 Cirsium japonicum Species Asteraceae Eukaryota UNPD*
NPO20842 Beauveria felina Species Cordycipitaceae Eukaryota UNPD*
NPO6395 Phedimus kamtschaticus Species Crassulaceae Eukaryota UNPD*
NPO22250 Parastrephia lepidophylla Species Asteraceae Eukaryota UNPD*
NPO12362 Coreopsis fasciculata Species Asteraceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota PMID[11520216]
NPO22381 Euphorbia segetalis Species Euphorbiaceae Eukaryota UNPD*
NPO19899 Crepis foetida Species Asteraceae Eukaryota UNPD*
NPO29466 Triglochin maritima Species Juncaginaceae Eukaryota UNPD*
NPO13355 Selinum carvifolium Species Apiaceae Eukaryota UNPD*
NPO22121 Piper arboreum Species Piperaceae Eukaryota UNPD*
NPO16414 Thuja plicata Species Cupressaceae Eukaryota UNPD*
NPO28912 Astragalus gummifer Species Fabaceae Eukaryota UNPD*
NPO22893 Apterostigma dentigerum Species Formicidae Eukaryota UNPD*
NPO20972 Oscillatoria princeps Species Oscillatoriaceae Bacteria UNPD*
NPO22568 Aristolochia elegans Species Aristolochiaceae Eukaryota UNPD*
NPO20146 Cladiella krempfi Species Alcyoniidae Eukaryota UNPD*
NPO20332 Dioscoreophyllum cumminsii Species Menispermaceae Eukaryota UNPD*
NPO22976 Ruta microcarpa Species Rutaceae Eukaryota UNPD*
NPO22315 Phlogacanthus thyrsiflorus Species Acanthaceae Eukaryota UNPD*
NPO22052 Aspergillus candidus Species Aspergillaceae Eukaryota UNPD*
NPO21991 Modiolus demissus Species Mytilidae Eukaryota UNPD*
NPO22509 Syncolostemon parviflorus Species Lamiaceae Eukaryota UNPD*
NPO3811 Granati pericarpium NA NA NA TCMSP*
NPO21859 Centaurea nigrescens Species Asteraceae Eukaryota UNPD*
NPO23953 Zanthoxylum monophyllum Species Rutaceae Eukaryota UNPD*
NPO21137 Combretum indicum Species Combretaceae Eukaryota TCMSP*
NPO20779 Garcinia hombroniana Species Clusiaceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota TM-MC*
NPO21227 Aglaia elaeagnoidea Species Meliaceae Eukaryota UNPD*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota TM-MC*
NPO23010 Crinum defixum Species Amaryllidaceae Eukaryota UNPD*
NPO22447 Sidastrum acuminatum Species Malvaceae Eukaryota UNPD*
NPO21282 Aplidium orthium Species Polyclinidae Eukaryota UNPD*
NPO21473 Urtica triangularis Species Urticaceae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota UNPD*
NPO21420 Phormia regina Species Calliphoridae Eukaryota UNPD*
NPO22829 Ozoroa insignis Species Anacardiaceae Eukaryota UNPD*
NPO2780 Brenneria rubrifaciens Species Pectobacteriaceae Bacteria UNPD*
NPO21096 Cardiospermum halicacabum Species Sapindaceae 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
NPT759 Cell Line H9 Homo sapiens GI = 15 % 1698933
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 ID50 = 0.008 nM 1698933
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 Activity = 11.4 % 1698933
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 Activity = 34.4 % 1698933
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 Activity = 45.3 % 1698933
NPT326 Individual Protein Squalene monooxygenase Rattus norvegicus IC50 = 20000 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 = 109 % 2413172
NPT2 Others Unspecified Activity = 105 % 2413172
NPT2 Others Unspecified Activity = 1 % 2413172
NPT2 Others Unspecified Activity = 8 % 2413172
NPT2 Others Unspecified Activity = 35 % 2413172
NPT2 Others Unspecified Activity = 62 % 2413172
NPT2 Others Unspecified Activity = 119 % 2413172
NPT2 Others Unspecified Activity = 64 % 2413172
NPT2 Others Unspecified Activity = 31 % 2413172
NPT2 Others Unspecified Activity = 6 % 2413172

  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 NPC123259 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 NPC129533
0.9824 High Similarity NPC237202
0.9766 High Similarity NPC269046
0.9645 High Similarity NPC80956
0.9588 High Similarity NPC125352
0.9543 High Similarity NPC477082
0.9538 High Similarity NPC477083
0.9538 High Similarity NPC477081
0.9527 High Similarity NPC297574
0.9425 High Similarity NPC173872
0.9425 High Similarity NPC119094
0.9412 High Similarity NPC472723
0.9408 High Similarity NPC263119
0.9408 High Similarity NPC166674
0.9408 High Similarity NPC473550
0.9408 High Similarity NPC34436
0.9408 High Similarity NPC46640
0.9408 High Similarity NPC219600
0.9405 High Similarity NPC181778
0.936 High Similarity NPC208797
0.936 High Similarity NPC53680
0.9318 High Similarity NPC264302
0.9314 High Similarity NPC142291
0.9314 High Similarity NPC7839
0.931 High Similarity NPC469650
0.931 High Similarity NPC111490
0.931 High Similarity NPC261623
0.9261 High Similarity NPC472721
0.9261 High Similarity NPC187632
0.9261 High Similarity NPC472720
0.9261 High Similarity NPC472724
0.9261 High Similarity NPC31208
0.9261 High Similarity NPC93065
0.9261 High Similarity NPC160543
0.9261 High Similarity NPC469652
0.9253 High Similarity NPC231254
0.9249 High Similarity NPC8940
0.9235 High Similarity NPC65333
0.9226 High Similarity NPC175793
0.9205 High Similarity NPC290289
0.9205 High Similarity NPC240200
0.9205 High Similarity NPC223534
0.9205 High Similarity NPC158214
0.9186 High Similarity NPC79736
0.9186 High Similarity NPC67629
0.9172 High Similarity NPC311389
0.9172 High Similarity NPC31034
0.9172 High Similarity NPC470271
0.9153 High Similarity NPC201814
0.9148 High Similarity NPC469649
0.9148 High Similarity NPC179947
0.9148 High Similarity NPC260521
0.9148 High Similarity NPC65489
0.9133 High Similarity NPC267549
0.9123 High Similarity NPC100251
0.9123 High Similarity NPC38438
0.9106 High Similarity NPC476358
0.9101 High Similarity NPC40078
0.9101 High Similarity NPC97924
0.9101 High Similarity NPC471091
0.9096 High Similarity NPC473618
0.907 High Similarity NPC98583
0.9064 High Similarity NPC470272
0.9059 High Similarity NPC43918
0.9059 High Similarity NPC473818
0.9059 High Similarity NPC261411
0.9059 High Similarity NPC190204
0.9053 High Similarity NPC162169
0.9053 High Similarity NPC166851
0.9029 High Similarity NPC117668
0.9023 High Similarity NPC265380
0.9011 High Similarity NPC174140
0.9006 High Similarity NPC149300
0.9 High Similarity NPC49983
0.9 High Similarity NPC317671
0.9 High Similarity NPC142707
0.9 High Similarity NPC26536
0.8977 High Similarity NPC132111
0.8971 High Similarity NPC185275
0.8953 High Similarity NPC47521
0.8947 High Similarity NPC217781
0.8935 High Similarity NPC291957
0.8935 High Similarity NPC14030
0.8933 High Similarity NPC105591
0.8927 High Similarity NPC318119
0.8927 High Similarity NPC49690
0.8914 High Similarity NPC471789
0.8901 High Similarity NPC3474
0.8895 High Similarity NPC95421
0.8895 High Similarity NPC658
0.8895 High Similarity NPC198125
0.8895 High Similarity NPC197708
0.8882 High Similarity NPC67959
0.8882 High Similarity NPC470898
0.8882 High Similarity NPC121290
0.8876 High Similarity NPC112380
0.887 High Similarity NPC321916
0.8869 High Similarity NPC37502
0.8869 High Similarity NPC40702
0.8869 High Similarity NPC267627
0.8857 High Similarity NPC473713
0.8844 High Similarity NPC52598
0.8817 High Similarity NPC24627
0.8817 High Similarity NPC24164
0.881 High Similarity NPC247713
0.8807 High Similarity NPC476622
0.8807 High Similarity NPC476620
0.8807 High Similarity NPC476621
0.8807 High Similarity NPC476623
0.8807 High Similarity NPC476619
0.8807 High Similarity NPC476618
0.8798 High Similarity NPC189312
0.8793 High Similarity NPC5786
0.8793 High Similarity NPC67134
0.8793 High Similarity NPC47140
0.8793 High Similarity NPC102851
0.8779 High Similarity NPC9309
0.8771 High Similarity NPC229817
0.8771 High Similarity NPC87583
0.8771 High Similarity NPC475352
0.8771 High Similarity NPC473686
0.8771 High Similarity NPC221140
0.8771 High Similarity NPC475220
0.8764 High Similarity NPC476203
0.8764 High Similarity NPC97119
0.8764 High Similarity NPC135831
0.8764 High Similarity NPC297503
0.8757 High Similarity NPC212290
0.8757 High Similarity NPC472726
0.8757 High Similarity NPC471030
0.8757 High Similarity NPC324742
0.8757 High Similarity NPC87317
0.8757 High Similarity NPC472725
0.875 High Similarity NPC300845
0.875 High Similarity NPC247629
0.875 High Similarity NPC88803
0.875 High Similarity NPC255799
0.875 High Similarity NPC250436
0.875 High Similarity NPC318432
0.875 High Similarity NPC239019
0.875 High Similarity NPC291948
0.875 High Similarity NPC104983
0.8743 High Similarity NPC316539
0.8743 High Similarity NPC163165
0.8743 High Similarity NPC172033
0.8743 High Similarity NPC178134
0.8743 High Similarity NPC175230
0.8743 High Similarity NPC88560
0.8736 High Similarity NPC204937
0.8736 High Similarity NPC180768
0.8736 High Similarity NPC149011
0.8722 High Similarity NPC72554
0.8722 High Similarity NPC97817
0.8722 High Similarity NPC269625
0.8722 High Similarity NPC30011
0.8713 High Similarity NPC285108
0.8713 High Similarity NPC33298
0.8713 High Similarity NPC476371
0.8713 High Similarity NPC476372
0.8708 High Similarity NPC469371
0.8708 High Similarity NPC170203
0.8706 High Similarity NPC289346
0.8706 High Similarity NPC53889
0.8701 High Similarity NPC472387
0.8698 High Similarity NPC156818
0.8698 High Similarity NPC172419
0.8698 High Similarity NPC289322
0.8698 High Similarity NPC68324
0.8698 High Similarity NPC238419
0.8698 High Similarity NPC38779
0.8698 High Similarity NPC135222
0.8698 High Similarity NPC160512
0.8698 High Similarity NPC114179
0.8698 High Similarity NPC474010
0.8693 High Similarity NPC193377
0.8686 High Similarity NPC289396
0.8686 High Similarity NPC212038
0.8686 High Similarity NPC271848
0.8686 High Similarity NPC81332
0.8686 High Similarity NPC262580
0.8674 High Similarity NPC205721
0.8667 High Similarity NPC473554
0.8667 High Similarity NPC295625
0.8667 High Similarity NPC241847
0.8667 High Similarity NPC470719
0.8667 High Similarity NPC104910
0.8667 High Similarity NPC474093
0.8659 High Similarity NPC475662
0.8659 High Similarity NPC473631
0.8659 High Similarity NPC470718
0.8659 High Similarity NPC293227
0.8659 High Similarity NPC473717
0.8655 High Similarity NPC139540
0.8655 High Similarity NPC109061
0.8655 High Similarity NPC177100
0.8652 High Similarity NPC114257
0.8652 High Similarity NPC277710
0.8652 High Similarity NPC275690
0.8652 High Similarity NPC161609
0.8652 High Similarity NPC153578

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC123259 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
0.8902 High Similarity NPD7993 Clinical (unspecified phase)
0.875 High Similarity NPD4868 Clinical (unspecified phase)
0.8743 High Similarity NPD1465 Phase 2
0.8678 High Similarity NPD5844 Phase 1
0.8523 High Similarity NPD7074 Phase 3
0.8436 Intermediate Similarity NPD8312 Approved
0.8436 Intermediate Similarity NPD8313 Approved
0.8418 Intermediate Similarity NPD7472 Approved
0.8362 Intermediate Similarity NPD7054 Approved
0.8333 Intermediate Similarity NPD6959 Discontinued
0.8306 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8305 Intermediate Similarity NPD3818 Discontinued
0.8305 Intermediate Similarity NPD7228 Approved
0.8304 Intermediate Similarity NPD8455 Phase 2
0.8295 Intermediate Similarity NPD6166 Phase 2
0.8295 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8295 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8278 Intermediate Similarity NPD7808 Phase 3
0.8278 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8268 Intermediate Similarity NPD6797 Phase 2
0.8222 Intermediate Similarity NPD7251 Discontinued
0.8182 Intermediate Similarity NPD6232 Discontinued
0.8144 Intermediate Similarity NPD8151 Discontinued
0.8057 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8056 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8045 Intermediate Similarity NPD7473 Discontinued
0.8021 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8011 Intermediate Similarity NPD6234 Discontinued
0.7989 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7989 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD37 Approved
0.7931 Intermediate Similarity NPD1934 Approved
0.7923 Intermediate Similarity NPD6559 Discontinued
0.7923 Intermediate Similarity NPD7240 Approved
0.7921 Intermediate Similarity NPD7199 Phase 2
0.7898 Intermediate Similarity NPD4966 Approved
0.7898 Intermediate Similarity NPD4967 Phase 2
0.7898 Intermediate Similarity NPD4965 Approved
0.7886 Intermediate Similarity NPD7819 Suspended
0.7879 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD7783 Phase 2
0.7816 Intermediate Similarity NPD4380 Phase 2
0.7803 Intermediate Similarity NPD1653 Approved
0.7797 Intermediate Similarity NPD7768 Phase 2
0.7765 Intermediate Similarity NPD5494 Approved
0.7754 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD3749 Approved
0.7753 Intermediate Similarity NPD7075 Discontinued
0.7735 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD7685 Pre-registration
0.7684 Intermediate Similarity NPD2801 Approved
0.767 Intermediate Similarity NPD7411 Suspended
0.7644 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD3817 Phase 2
0.7627 Intermediate Similarity NPD6801 Discontinued
0.7609 Intermediate Similarity NPD3751 Discontinued
0.7598 Intermediate Similarity NPD3882 Suspended
0.7584 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD3787 Discontinued
0.7557 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7525 Intermediate Similarity NPD7680 Approved
0.7525 Intermediate Similarity NPD7435 Discontinued
0.75 Intermediate Similarity NPD3750 Approved
0.75 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD1511 Approved
0.7462 Intermediate Similarity NPD6781 Approved
0.7462 Intermediate Similarity NPD6777 Approved
0.7462 Intermediate Similarity NPD6776 Approved
0.7462 Intermediate Similarity NPD6779 Approved
0.7462 Intermediate Similarity NPD6780 Approved
0.7462 Intermediate Similarity NPD6778 Approved
0.7462 Intermediate Similarity NPD6782 Approved
0.7444 Intermediate Similarity NPD5402 Approved
0.7437 Intermediate Similarity NPD7698 Approved
0.7437 Intermediate Similarity NPD7697 Approved
0.7437 Intermediate Similarity NPD7696 Phase 3
0.74 Intermediate Similarity NPD7871 Phase 2
0.74 Intermediate Similarity NPD7870 Phase 2
0.74 Intermediate Similarity NPD8319 Approved
0.74 Intermediate Similarity NPD8320 Phase 1
0.7389 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD7874 Approved
0.7386 Intermediate Similarity NPD1512 Approved
0.7376 Intermediate Similarity NPD7701 Phase 2
0.7371 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD6190 Approved
0.7341 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD8127 Discontinued
0.7337 Intermediate Similarity NPD230 Phase 1
0.733 Intermediate Similarity NPD2533 Approved
0.733 Intermediate Similarity NPD2534 Approved
0.733 Intermediate Similarity NPD2532 Approved
0.733 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD7266 Discontinued
0.7299 Intermediate Similarity NPD4628 Phase 3
0.7283 Intermediate Similarity NPD1549 Phase 2
0.7278 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD1613 Approved
0.7273 Intermediate Similarity NPD7700 Phase 2
0.7273 Intermediate Similarity NPD7699 Phase 2
0.7273 Intermediate Similarity NPD7390 Discontinued
0.7263 Intermediate Similarity NPD7458 Discontinued
0.7263 Intermediate Similarity NPD3226 Approved
0.7254 Intermediate Similarity NPD8150 Discontinued
0.7247 Intermediate Similarity NPD5403 Approved
0.7241 Intermediate Similarity NPD6674 Discontinued
0.7232 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD919 Approved
0.7225 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD6823 Phase 2
0.7209 Intermediate Similarity NPD3748 Approved
0.7208 Intermediate Similarity NPD6534 Approved
0.7208 Intermediate Similarity NPD6535 Approved
0.7204 Intermediate Similarity NPD7229 Phase 3
0.7184 Intermediate Similarity NPD7801 Approved
0.7184 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD6799 Approved
0.7143 Intermediate Similarity NPD7177 Discontinued
0.7135 Intermediate Similarity NPD5401 Approved
0.7127 Intermediate Similarity NPD6599 Discontinued
0.7123 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD7585 Approved
0.7102 Intermediate Similarity NPD7003 Approved
0.7095 Intermediate Similarity NPD6273 Approved
0.7083 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD8434 Phase 2
0.7074 Intermediate Similarity NPD3926 Phase 2
0.7073 Intermediate Similarity NPD7583 Approved
0.7069 Intermediate Similarity NPD5406 Approved
0.7069 Intermediate Similarity NPD5404 Approved
0.7069 Intermediate Similarity NPD5405 Approved
0.7069 Intermediate Similarity NPD5408 Approved
0.7062 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD920 Approved
0.705 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD1510 Phase 2
0.7006 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3027 Phase 3
0.6985 Remote Similarity NPD6212 Phase 3
0.6985 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6985 Remote Similarity NPD6213 Phase 3
0.6977 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6971 Remote Similarity NPD2935 Discontinued
0.6971 Remote Similarity NPD2796 Approved
0.6968 Remote Similarity NPD1247 Approved
0.6959 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6959 Remote Similarity NPD7549 Discontinued
0.6944 Remote Similarity NPD642 Clinical (unspecified phase)
0.6936 Remote Similarity NPD447 Suspended
0.6932 Remote Similarity NPD2346 Discontinued
0.6931 Remote Similarity NPD5710 Approved
0.6931 Remote Similarity NPD5711 Approved
0.6919 Remote Similarity NPD4287 Approved
0.691 Remote Similarity NPD8166 Discontinued
0.6908 Remote Similarity NPD7584 Approved
0.6895 Remote Similarity NPD5242 Approved
0.6882 Remote Similarity NPD5353 Approved
0.6879 Remote Similarity NPD943 Approved
0.6875 Remote Similarity NPD1551 Phase 2
0.686 Remote Similarity NPD3764 Approved
0.6857 Remote Similarity NPD7097 Phase 1
0.6856 Remote Similarity NPD5953 Discontinued
0.6854 Remote Similarity NPD2800 Approved
0.6854 Remote Similarity NPD1243 Approved
0.6842 Remote Similarity NPD4908 Phase 1
0.684 Remote Similarity NPD7930 Approved
0.6839 Remote Similarity NPD5124 Phase 1
0.6839 Remote Similarity NPD1933 Approved
0.6839 Remote Similarity NPD7286 Phase 2
0.6839 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6833 Remote Similarity NPD643 Clinical (unspecified phase)
0.6821 Remote Similarity NPD7038 Approved
0.6821 Remote Similarity NPD7039 Approved
0.6818 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6816 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6811 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6791 Remote Similarity NPD4288 Approved
0.6786 Remote Similarity NPD9269 Phase 2
0.6782 Remote Similarity NPD1240 Approved
0.6782 Remote Similarity NPD4060 Phase 1
0.678 Remote Similarity NPD6099 Approved
0.678 Remote Similarity NPD6100 Approved
0.6763 Remote Similarity NPD6798 Discontinued
0.6749 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6732 Remote Similarity NPD8285 Discontinued
0.6727 Remote Similarity NPD8059 Phase 3
0.6727 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6723 Remote Similarity NPD2799 Discontinued
0.6723 Remote Similarity NPD651 Clinical (unspecified phase)
0.6717 Remote Similarity NPD8053 Approved
0.6717 Remote Similarity NPD8054 Approved
0.671 Remote Similarity NPD8153 Approved
0.671 Remote Similarity NPD8152 Approved

Structure

External Identifiers

PubChem CID   5464368
ChEMBL   CHEMBL502440
ZINC  

Physicochemical Properties

Molecular Weight:  782.06
ALogP:  -6.5602
MLogP:  2.78
XLogP:  -2.621
# Rotatable Bonds:  13
Polar Surface Area:  377.42
# H-Bond Aceptor:  10
# H-Bond Donor:  13
# Rings:  8
# Heavy Atoms:  56

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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