Natural Product: NPC115343

Natural Product ID:  NPC115343
Common Name:   Pancratistatin
IUPAC Name:   (1R,2S,3S,4S,4aR,11bR)-1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Synonyms:   (+)-Pancratistatin; Pancratistatin
Molecular Formula:   C14H15NO8
Standard InCHIKey:  VREZDOWOLGNDPW-ALTGWBOUSA-N
Standard InCHI:  InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1
Canonical SMILES:  O[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H]([C@@H]1O)N=C(c1c2cc2OCOc2c1O)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
NPO9263 Brachystola magna NA NA NA UNPD*
NPO9000 Helichrysum kraussii Species Asteraceae Eukaryota UNPD*
NPO9759 Croton kongensis Species Euphorbiaceae Eukaryota UNPD*
NPO6123 Discodermia polydiscus Species Theonellidae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO2063 Pausinystalia pachyceras Species Rubiaceae Eukaryota UNPD*
NPO5361 Fuligo cinerea Species Physaraceae Eukaryota UNPD*
NPO33009 Hymenocallis Genus Amaryllidaceae Eukaryota PMID[8277308]
NPO32739 pancratium littorale Species Amaryllidaceae Eukaryota PMID[1336040]
NPO32582 narcissus cv. ice follies Species Amaryllidaceae Eukaryota PMID[22413911]
NPO33437 amaryllidaceae Family Amaryllidaceae Eukaryota PMID[22921081]
NPO10448.1 Prunus cerasoides var. campanulata Varieties Rosaceae Eukaryota UNPD*
NPO11192 Hedera helix Species Araliaceae Eukaryota TCM_Taiwan*
NPO29135 Oenanthe crocata Species Apiaceae Eukaryota TCM_Taiwan*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO30275 Zephyranthes grandiflora Species Amaryllidaceae Eukaryota TCM_Taiwan*
NPO8507 Corynanthe paniculata Species Rubiaceae Eukaryota UNPD*
NPO4392 Tulipa turkestanica Species Liliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus Inhibition = 0.039 ug/ml 15125958
NPT1081 Cell Line BXPC-3 Homo sapiens Inhibition = 0.028 ug/ml 15125958
NPT83 Cell Line MCF7 Homo sapiens Inhibition = 0.032 ug/ml 15125958
NPT395 Cell Line SF-268 Homo sapiens Inhibition = 0.017 ug/ml 15125958
NPT397 Cell Line NCI-H460 Homo sapiens Inhibition = 0.048 ug/ml 15125958
NPT575 Cell Line KM-20L2 Homo sapiens Inhibition = 0.062 ug/ml 15125958
NPT90 Cell Line DU-145 Homo sapiens Inhibition = 0.016 ug/ml 15125958
NPT1081 Cell Line BXPC-3 Homo sapiens ED50 = 0.02 ug/ml 17346078
NPT83 Cell Line MCF7 Homo sapiens ED50 = 0.023 ug/ml 17346078
NPT395 Cell Line SF-268 Homo sapiens GI50 = 0.014 ug/ml 17346078
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 0.032 ug/ml 17346078
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 0.025 ug/ml 17346078
NPT90 Cell Line DU-145 Homo sapiens GI50 = 0.015 ug/ml 17346078
NPT168 Cell Line P388 Mus musculus ED50 = 0.017 ug/ml 17346078
NPT168 Cell Line P388 Mus musculus ED50 = 0.039 ug/ml 18225861
NPT90 Cell Line DU-145 Homo sapiens GI50 = 0.015 ug/ml 15043403
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 0.025 ug/ml 15043403
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 0.032 ug/ml 15043403
NPT395 Cell Line SF-268 Homo sapiens GI50 = 0.014 ug/ml 15043403
NPT83 Cell Line MCF7 Homo sapiens GI50 = 0.023 ug/ml 15043403
NPT1081 Cell Line BXPC-3 Homo sapiens GI50 = 0.02 ug/ml 15043403
NPT168 Cell Line P388 Mus musculus ED50 = 0.017 ug/ml 15043403
NPT168 Cell Line P388 Mus musculus ED50 < 0.01 ug/ml 6549467
NPT168 Cell Line P388 Mus musculus ED50 = 0.01 ug/ml 8277308
NPT2 Others Unspecified ED50 = 0.01 ug/ml 3572427
NPT168 Cell Line P388 Mus musculus Activity = 38 % 3572427
NPT4326 Cell Line M5076 Mus musculus Activity = 53 % 3572427
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus IC50 = 0.022 ug/ml 1336040
NPT4327 Organism Yellow fever virus Yellow fever virus IC50 = 0.016 ug/ml 1336040
NPT4328 Organism Dengue virus type 4 Dengue virus 4 IC50 = 0.063 ug/ml 1336040
NPT341 Organism Punta Toro virus Punta Toro virus Inhibition = 25 % 1336040
NPT4329 Organism Rift Valley fever virus Rift Valley fever virus IC50 = 0.16 ug/ml 1336040
NPT32 Organism Mus musculus Mus musculus Activity = 1.5 1336040
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus Activity = 90 % 1336040
NPT32 Organism Mus musculus Mus musculus AD50 = 2.7 day 1336040
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus Activity = 15 day 1336040
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus Activity = 16.3 day 1336040
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus Activity = 15.4 day 1336040
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus Activity = 30 % 1336040
NPT32 Organism Mus musculus Mus musculus Activity = 1.3 1336040
NPT32 Organism Mus musculus Mus musculus Activity = 1.4 1336040
NPT32 Organism Mus musculus Mus musculus Activity = 1.8 1336040
NPT32 Organism Mus musculus Mus musculus Activity = 2.1 1336040
NPT32 Organism Mus musculus Mus musculus Activity = 2.8 1336040
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus Activity = 12.9 day 1336040
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus Activity = 11.8 day 1336040
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus Activity = 10.4 day 1336040
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus Activity = 12.3 day 1336040
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus Activity = 12.6 day 1336040
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus Activity = 50 % 1336040
NPT168 Cell Line P388 Mus musculus ED50 = 0.048 ug/ml 16124772
NPT1081 Cell Line BXPC-3 Homo sapiens ED50 = 0.043 ug/ml 16124772
NPT83 Cell Line MCF7 Homo sapiens ED50 = 0.035 ug/ml 16124772
NPT395 Cell Line SF-268 Homo sapiens ED50 = 0.032 ug/ml 16124772
NPT397 Cell Line NCI-H460 Homo sapiens ED50 = 0.029 ug/ml 16124772
NPT575 Cell Line KM-20L2 Homo sapiens ED50 = 0.048 ug/ml 16124772
NPT90 Cell Line DU-145 Homo sapiens ED50 = 0.037 ug/ml 16124772
NPT168 Cell Line P388 Mus musculus ED50 = 0.039 ug/ml 16441059
NPT1081 Cell Line BXPC-3 Homo sapiens GI = 0.028 ug/ml 16441059
NPT83 Cell Line MCF7 Homo sapiens GI50 = 0.032 ug/ml 16441059
NPT2 Others Unspecified GI50 = 0.017 ug/ml 16441059
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 0.048 ug/ml 16441059
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 0.026 ug/ml 16441059
NPT90 Cell Line DU-145 Homo sapiens GI50 = 0.016 ug/ml 16441059
NPT367 Cell Line MDA-N Homo sapiens GI50 37.24 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 36.48 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 672.98 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 44.46 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 87.5 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 36.39 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 31.62 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 36.98 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 30.55 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 27.16 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 35.16 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 58.34 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 37.33 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 37.58 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 30.9 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 62.23 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 44.87 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 33.88 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 143.88 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 33.65 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 34.43 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 30.13 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 82.6 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 105.93 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 650.13 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 38.64 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 38.82 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 32.58 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 39.26 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 261.82 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 23.66 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 38.37 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 77.8 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 30.69 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 30.69 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus GI50 36.56 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 49.32 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 33.65 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 40.27 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 44.46 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 89.33 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 30.13 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 29.72 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 44.98 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 39.08 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 53.33 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 36.9 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 46.13 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 540.75 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 48.31 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 41.21 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 45.71 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 28.77 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 43.65 nM PubChem BioAssay data set
NPT552 Cell Line P388/ADR Mus musculus GI50 40.64 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 37.24 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 33.11 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 51.64 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 46.88 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 1581.25 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 34.83 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 648.63 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 42.85 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 45.19 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 32.36 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 41.5 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 37.5 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 41.4 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 43.85 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 28.77 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 43.35 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 59.84 nM PubChem BioAssay data set
NPT738 Cell Line SN12K1 Homo sapiens GI50 46.99 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus ED50 = 0.017 ug/ml 22413911
NPT1081 Cell Line BXPC-3 Homo sapiens GI50 = 0.02 ug/ml 22413911
NPT83 Cell Line MCF7 Homo sapiens GI50 = 0.023 ug/ml 22413911
NPT395 Cell Line SF-268 Homo sapiens GI50 = 0.014 ug/ml 22413911
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 0.032 ug/ml 22413911
NPT575 Cell Line KM-20L2 Homo sapiens GI50 = 0.025 ug/ml 22413911
NPT90 Cell Line DU-145 Homo sapiens GI50 = 0.015 ug/ml 22413911
NPT83 Cell Line MCF7 Homo sapiens IC50 = 71 nM 22921081
NPT1766 Organism Human herpesvirus 1 strain KOS Human herpesvirus 1 strain KOS FC = 8.3 26819664
NPT1766 Organism Human herpesvirus 1 strain KOS Human herpesvirus 1 strain KOS FC = 62 26819664

  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 NPC115343 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 NPC1291
0.9875 High Similarity NPC289743
0.9875 High Similarity NPC110374
0.9503 High Similarity NPC304846
0.9444 High Similarity NPC182257
0.9379 High Similarity NPC54125
0.9379 High Similarity NPC89199
0.9112 High Similarity NPC474607
0.9059 High Similarity NPC474650
0.9012 High Similarity NPC475919
0.9012 High Similarity NPC474661
0.8941 High Similarity NPC475794
0.8896 High Similarity NPC69360
0.8791 High Similarity NPC475768
0.8412 Intermediate Similarity NPC198741
0.8372 Intermediate Similarity NPC474953
0.8276 Intermediate Similarity NPC474051
0.8075 Intermediate Similarity NPC77572
0.8023 Intermediate Similarity NPC187678
0.7912 Intermediate Similarity NPC9867
0.791 Intermediate Similarity NPC231371
0.7907 Intermediate Similarity NPC329837
0.7829 Intermediate Similarity NPC180306
0.7814 Intermediate Similarity NPC34780
0.7784 Intermediate Similarity NPC189239
0.7784 Intermediate Similarity NPC110763
0.7784 Intermediate Similarity NPC166506
0.7784 Intermediate Similarity NPC197352
0.7765 Intermediate Similarity NPC474560
0.7765 Intermediate Similarity NPC228040
0.7753 Intermediate Similarity NPC311991
0.7735 Intermediate Similarity NPC15919
0.7725 Intermediate Similarity NPC73467
0.7725 Intermediate Similarity NPC121661
0.7709 Intermediate Similarity NPC477115
0.7692 Intermediate Similarity NPC244554
0.7684 Intermediate Similarity NPC68328
0.7683 Intermediate Similarity NPC474039
0.7676 Intermediate Similarity NPC214116
0.7667 Intermediate Similarity NPC2314
0.7665 Intermediate Similarity NPC324962
0.7661 Intermediate Similarity NPC127402
0.7657 Intermediate Similarity NPC4304
0.764 Intermediate Similarity NPC190332
0.764 Intermediate Similarity NPC181653
0.764 Intermediate Similarity NPC100566
0.7636 Intermediate Similarity NPC30951
0.7636 Intermediate Similarity NPC6369
0.7633 Intermediate Similarity NPC252286
0.7633 Intermediate Similarity NPC226540
0.7633 Intermediate Similarity NPC154971
0.7626 Intermediate Similarity NPC474594
0.7622 Intermediate Similarity NPC254610
0.7619 Intermediate Similarity NPC187774
0.7619 Intermediate Similarity NPC473046
0.7619 Intermediate Similarity NPC472713
0.7619 Intermediate Similarity NPC472712
0.7619 Intermediate Similarity NPC118385
0.7605 Intermediate Similarity NPC184641
0.7605 Intermediate Similarity NPC36531
0.7605 Intermediate Similarity NPC133934
0.7605 Intermediate Similarity NPC184684
0.7605 Intermediate Similarity NPC229172
0.7605 Intermediate Similarity NPC191231
0.7605 Intermediate Similarity NPC230538
0.7605 Intermediate Similarity NPC103637
0.7596 Intermediate Similarity NPC99179
0.759 Intermediate Similarity NPC284464
0.7574 Intermediate Similarity NPC307466
0.7574 Intermediate Similarity NPC475868
0.756 Intermediate Similarity NPC474808
0.7558 Intermediate Similarity NPC214326
0.7558 Intermediate Similarity NPC218041
0.7558 Intermediate Similarity NPC225815
0.7558 Intermediate Similarity NPC472710
0.7558 Intermediate Similarity NPC9933
0.7558 Intermediate Similarity NPC469707
0.7558 Intermediate Similarity NPC472709
0.7558 Intermediate Similarity NPC260781
0.7558 Intermediate Similarity NPC185955
0.7558 Intermediate Similarity NPC24425
0.7558 Intermediate Similarity NPC182368
0.7558 Intermediate Similarity NPC469706
0.7558 Intermediate Similarity NPC145979
0.7546 Intermediate Similarity NPC58585
0.7544 Intermediate Similarity NPC301961
0.7544 Intermediate Similarity NPC166584
0.7543 Intermediate Similarity NPC195766
0.7543 Intermediate Similarity NPC206736
0.7541 Intermediate Similarity NPC118633
0.7541 Intermediate Similarity NPC294790
0.7541 Intermediate Similarity NPC148693
0.754 Intermediate Similarity NPC186546
0.754 Intermediate Similarity NPC476576
0.7529 Intermediate Similarity NPC107602
0.7528 Intermediate Similarity NPC24465
0.7515 Intermediate Similarity NPC239254
0.7515 Intermediate Similarity NPC197166
0.7515 Intermediate Similarity NPC172171
0.7514 Intermediate Similarity NPC475756
0.7514 Intermediate Similarity NPC248642
0.7513 Intermediate Similarity NPC117717
0.75 Intermediate Similarity NPC82763
0.75 Intermediate Similarity NPC472714
0.75 Intermediate Similarity NPC5262
0.7487 Intermediate Similarity NPC57036
0.7486 Intermediate Similarity NPC90984
0.7486 Intermediate Similarity NPC264850
0.7486 Intermediate Similarity NPC13916
0.7485 Intermediate Similarity NPC39657
0.7485 Intermediate Similarity NPC177868
0.7473 Intermediate Similarity NPC156576
0.7473 Intermediate Similarity NPC152680
0.7473 Intermediate Similarity NPC190783
0.7473 Intermediate Similarity NPC232386
0.7472 Intermediate Similarity NPC189782
0.7472 Intermediate Similarity NPC320104
0.7471 Intermediate Similarity NPC178014
0.7471 Intermediate Similarity NPC11422
0.7471 Intermediate Similarity NPC42716
0.7471 Intermediate Similarity NPC471154
0.7471 Intermediate Similarity NPC474749
0.747 Intermediate Similarity NPC296898
0.7459 Intermediate Similarity NPC75958
0.7459 Intermediate Similarity NPC474475
0.7458 Intermediate Similarity NPC249274
0.7458 Intermediate Similarity NPC205167
0.7456 Intermediate Similarity NPC185071
0.7456 Intermediate Similarity NPC12728
0.7446 Intermediate Similarity NPC114364
0.7446 Intermediate Similarity NPC320223
0.7444 Intermediate Similarity NPC252960
0.7442 Intermediate Similarity NPC316676
0.7442 Intermediate Similarity NPC248132
0.7442 Intermediate Similarity NPC175976
0.7442 Intermediate Similarity NPC325720
0.7442 Intermediate Similarity NPC130449
0.744 Intermediate Similarity NPC311530
0.7439 Intermediate Similarity NPC112237
0.7432 Intermediate Similarity NPC229166
0.7432 Intermediate Similarity NPC329969
0.7432 Intermediate Similarity NPC128560
0.7432 Intermediate Similarity NPC199465
0.743 Intermediate Similarity NPC238530
0.743 Intermediate Similarity NPC276944
0.743 Intermediate Similarity NPC232514
0.7429 Intermediate Similarity NPC474606
0.7427 Intermediate Similarity NPC212890
0.7427 Intermediate Similarity NPC33832
0.7427 Intermediate Similarity NPC190714
0.7427 Intermediate Similarity NPC99515
0.7425 Intermediate Similarity NPC114171
0.7425 Intermediate Similarity NPC477838
0.7425 Intermediate Similarity NPC230124
0.7425 Intermediate Similarity NPC6300
0.7425 Intermediate Similarity NPC292487
0.7425 Intermediate Similarity NPC477837
0.7425 Intermediate Similarity NPC9068
0.7421 Intermediate Similarity NPC24260
0.7419 Intermediate Similarity NPC275132
0.7418 Intermediate Similarity NPC477640
0.7418 Intermediate Similarity NPC225597
0.7418 Intermediate Similarity NPC470739
0.7418 Intermediate Similarity NPC65403
0.741 Intermediate Similarity NPC41473
0.741 Intermediate Similarity NPC14600
0.741 Intermediate Similarity NPC204848
0.741 Intermediate Similarity NPC312770
0.741 Intermediate Similarity NPC160607
0.7407 Intermediate Similarity NPC470642
0.7405 Intermediate Similarity NPC126284
0.7403 Intermediate Similarity NPC83198
0.7403 Intermediate Similarity NPC58766
0.7403 Intermediate Similarity NPC204908
0.7403 Intermediate Similarity NPC475686
0.7399 Intermediate Similarity NPC55158
0.7399 Intermediate Similarity NPC286235
0.7399 Intermediate Similarity NPC51328
0.7396 Intermediate Similarity NPC41782
0.7396 Intermediate Similarity NPC234318
0.7394 Intermediate Similarity NPC244983
0.7394 Intermediate Similarity NPC474009
0.7394 Intermediate Similarity NPC326095
0.7391 Intermediate Similarity NPC237044
0.7389 Intermediate Similarity NPC476002
0.7386 Intermediate Similarity NPC159922
0.7384 Intermediate Similarity NPC227902
0.7384 Intermediate Similarity NPC116019
0.7384 Intermediate Similarity NPC37144
0.7384 Intermediate Similarity NPC59907
0.7382 Intermediate Similarity NPC29472
0.7382 Intermediate Similarity NPC85381
0.7374 Intermediate Similarity NPC218614
0.7371 Intermediate Similarity NPC475557
0.7371 Intermediate Similarity NPC21902
0.7368 Intermediate Similarity NPC318805
0.7368 Intermediate Similarity NPC475096
0.7368 Intermediate Similarity NPC477702
0.7368 Intermediate Similarity NPC277867
0.7368 Intermediate Similarity NPC161700

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC115343 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
0.8193 Intermediate Similarity NPD4005 Discontinued
0.807 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7007 Discovery
0.7622 Intermediate Similarity NPD4663 Approved
0.7592 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD7906 Approved
0.7486 Intermediate Similarity NPD2978 Approved
0.7486 Intermediate Similarity NPD2977 Approved
0.7459 Intermediate Similarity NPD4578 Approved
0.7459 Intermediate Similarity NPD4577 Approved
0.7394 Intermediate Similarity NPD6842 Approved
0.7394 Intermediate Similarity NPD6841 Approved
0.7394 Intermediate Similarity NPD6843 Phase 3
0.736 Intermediate Similarity NPD4055 Discovery
0.7313 Intermediate Similarity NPD7827 Phase 1
0.7308 Intermediate Similarity NPD2489 Approved
0.7308 Intermediate Similarity NPD27 Approved
0.7253 Intermediate Similarity NPD2969 Approved
0.7253 Intermediate Similarity NPD2970 Approved
0.7232 Intermediate Similarity NPD37 Approved
0.7222 Intermediate Similarity NPD6234 Discontinued
0.7198 Intermediate Similarity NPD3051 Approved
0.7191 Intermediate Similarity NPD5772 Approved
0.7191 Intermediate Similarity NPD5773 Approved
0.7181 Intermediate Similarity NPD7313 Approved
0.7181 Intermediate Similarity NPD7312 Approved
0.7181 Intermediate Similarity NPD7311 Approved
0.7181 Intermediate Similarity NPD7310 Approved
0.7169 Intermediate Similarity NPD1613 Approved
0.7169 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7309 Approved
0.712 Intermediate Similarity NPD7243 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD4678 Approved
0.7119 Intermediate Similarity NPD4675 Approved
0.7118 Intermediate Similarity NPD1375 Discontinued
0.7111 Intermediate Similarity NPD4967 Phase 2
0.7111 Intermediate Similarity NPD4965 Approved
0.7111 Intermediate Similarity NPD4966 Approved
0.7102 Intermediate Similarity NPD1653 Approved
0.7093 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD6331 Phase 2
0.7091 Intermediate Similarity NPD3027 Phase 3
0.7086 Intermediate Similarity NPD52 Approved
0.7086 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD7526 Approved
0.7079 Intermediate Similarity NPD5089 Approved
0.7079 Intermediate Similarity NPD5090 Approved
0.7053 Intermediate Similarity NPD8053 Approved
0.7053 Intermediate Similarity NPD8054 Approved
0.7043 Intermediate Similarity NPD7228 Approved
0.7035 Intermediate Similarity NPD4237 Approved
0.7035 Intermediate Similarity NPD4236 Phase 3
0.7018 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.697 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6954 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6954 Remote Similarity NPD5241 Discontinued
0.6932 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6928 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6915 Remote Similarity NPD4004 Approved
0.6915 Remote Similarity NPD4002 Approved
0.6905 Remote Similarity NPD2674 Phase 3
0.69 Remote Similarity NPD2494 Approved
0.69 Remote Similarity NPD3450 Approved
0.69 Remote Similarity NPD2493 Approved
0.69 Remote Similarity NPD3452 Approved
0.6885 Remote Similarity NPD5604 Discontinued
0.6882 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6881 Remote Similarity NPD4582 Approved
0.6881 Remote Similarity NPD4583 Approved
0.6868 Remote Similarity NPD2560 Approved
0.6868 Remote Similarity NPD2563 Approved
0.6866 Remote Similarity NPD5006 Approved
0.6866 Remote Similarity NPD5005 Approved
0.6865 Remote Similarity NPD7199 Phase 2
0.6864 Remote Similarity NPD2238 Phase 2
0.6862 Remote Similarity NPD3818 Discontinued
0.686 Remote Similarity NPD2161 Phase 2
0.6845 Remote Similarity NPD3145 Approved
0.6845 Remote Similarity NPD4481 Phase 3
0.6845 Remote Similarity NPD3144 Approved
0.6839 Remote Similarity NPD5177 Phase 3
0.6836 Remote Similarity NPD4123 Phase 3
0.6836 Remote Similarity NPD4739 Approved
0.6836 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6811 Remote Similarity NPD6746 Phase 2
0.6805 Remote Similarity NPD840 Approved
0.6805 Remote Similarity NPD839 Approved
0.6802 Remote Similarity NPD4108 Discontinued
0.6771 Remote Similarity NPD7549 Discontinued
0.6761 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6761 Remote Similarity NPD302 Approved
0.6758 Remote Similarity NPD3382 Approved
0.6758 Remote Similarity NPD3383 Approved
0.6758 Remote Similarity NPD3384 Approved
0.6751 Remote Similarity NPD7296 Approved
0.6748 Remote Similarity NPD8151 Discontinued
0.6743 Remote Similarity NPD3060 Approved
0.6743 Remote Similarity NPD6674 Discontinued
0.6738 Remote Similarity NPD6071 Discontinued
0.6737 Remote Similarity NPD8156 Discontinued
0.6726 Remote Similarity NPD600 Approved
0.6726 Remote Similarity NPD596 Approved
0.6723 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6721 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6717 Remote Similarity NPD7125 Discontinued
0.6707 Remote Similarity NPD3705 Approved
0.6706 Remote Similarity NPD554 Clinical (unspecified phase)
0.6704 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6703 Remote Similarity NPD4772 Phase 2
0.6703 Remote Similarity NPD4773 Phase 2
0.6702 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6701 Remote Similarity NPD2490 Approved
0.6701 Remote Similarity NPD2488 Approved
0.67 Remote Similarity NPD2973 Approved
0.67 Remote Similarity NPD2975 Approved
0.67 Remote Similarity NPD2974 Approved
0.67 Remote Similarity NPD6823 Phase 2
0.6685 Remote Similarity NPD4357 Discontinued
0.6684 Remote Similarity NPD8099 Discontinued
0.6684 Remote Similarity NPD8251 Approved
0.6684 Remote Similarity NPD8252 Approved
0.6683 Remote Similarity NPD4580 Approved
0.6667 Remote Similarity NPD2122 Discontinued
0.6667 Remote Similarity NPD4420 Approved
0.6667 Remote Similarity NPD3692 Discontinued
0.6667 Remote Similarity NPD2219 Phase 1
0.6667 Remote Similarity NPD2677 Approved
0.6649 Remote Similarity NPD4606 Clinical (unspecified phase)
0.6648 Remote Similarity NPD4584 Approved
0.6635 Remote Similarity NPD7047 Phase 3
0.6632 Remote Similarity NPD3489 Phase 3
0.6632 Remote Similarity NPD7240 Approved
0.663 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6629 Remote Similarity NPD7124 Phase 2
0.6627 Remote Similarity NPD9622 Approved
0.6612 Remote Similarity NPD6072 Discontinued
0.6603 Remote Similarity NPD7801 Approved
0.6597 Remote Similarity NPD7493 Clinical (unspecified phase)
0.6591 Remote Similarity NPD4664 Clinical (unspecified phase)
0.658 Remote Similarity NPD6996 Clinical (unspecified phase)
0.6576 Remote Similarity NPD7945 Clinical (unspecified phase)
0.657 Remote Similarity NPD3619 Clinical (unspecified phase)
0.657 Remote Similarity NPD3620 Phase 2
0.6568 Remote Similarity NPD1712 Approved
0.6562 Remote Similarity NPD7054 Approved
0.6559 Remote Similarity NPD6788 Approved
0.6543 Remote Similarity NPD7201 Clinical (unspecified phase)
0.6543 Remote Similarity NPD4666 Phase 3
0.6542 Remote Similarity NPD4111 Phase 1
0.6542 Remote Similarity NPD4665 Approved
0.6541 Remote Similarity NPD4585 Approved
0.6541 Remote Similarity NPD7089 Clinical (unspecified phase)
0.6535 Remote Similarity NPD4605 Approved
0.6535 Remote Similarity NPD4604 Approved
0.6528 Remote Similarity NPD7472 Approved
0.6528 Remote Similarity NPD7074 Phase 3
0.6517 Remote Similarity NPD3473 Clinical (unspecified phase)
0.6514 Remote Similarity NPD1753 Discontinued
0.6513 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6513 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6506 Remote Similarity NPD1610 Phase 2
0.65 Remote Similarity NPD7213 Phase 3
0.65 Remote Similarity NPD7212 Phase 2
0.6494 Remote Similarity NPD823 Approved
0.6494 Remote Similarity NPD2157 Approved
0.6494 Remote Similarity NPD817 Approved
0.6492 Remote Similarity NPD2898 Approved
0.6491 Remote Similarity NPD2669 Clinical (unspecified phase)
0.6489 Remote Similarity NPD5709 Phase 3
0.6485 Remote Similarity NPD5582 Discontinued
0.6485 Remote Similarity NPD9384 Approved
0.6485 Remote Similarity NPD9381 Approved
0.6482 Remote Similarity NPD2843 Phase 2
0.6482 Remote Similarity NPD2845 Phase 2
0.648 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6476 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6476 Remote Similarity NPD7874 Approved
0.6474 Remote Similarity NPD1558 Phase 1
0.6474 Remote Similarity NPD4010 Discontinued
0.6474 Remote Similarity NPD7315 Approved
0.6473 Remote Similarity NPD4040 Phase 1
0.6471 Remote Similarity NPD8067 Phase 3
0.6464 Remote Similarity NPD7447 Phase 1
0.6461 Remote Similarity NPD4162 Approved
0.6458 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6457 Remote Similarity NPD6111 Discontinued
0.6452 Remote Similarity NPD6997 Phase 2
0.6448 Remote Similarity NPD4210 Discontinued
0.6448 Remote Similarity NPD3687 Approved
0.6448 Remote Similarity NPD3686 Approved
0.6439 Remote Similarity NPD6779 Approved
0.6439 Remote Similarity NPD6782 Approved
0.6439 Remote Similarity NPD6780 Approved
0.6439 Remote Similarity NPD6777 Approved
0.6439 Remote Similarity NPD6781 Approved
0.6439 Remote Similarity NPD6776 Approved
0.6439 Remote Similarity NPD6778 Approved
0.6432 Remote Similarity NPD7930 Approved
0.6432 Remote Similarity NPD7615 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   441597
ChEMBL   CHEMBL419335
ZINC  

Physicochemical Properties

Molecular Weight:  325.08
ALogP:  -3.356
MLogP:  2.01
XLogP:  -1.48
# Rotatable Bonds:  6
Polar Surface Area:  152.2
# H-Bond Aceptor:  6
# H-Bond Donor:  6
# Rings:  4
# Heavy Atoms:  23

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Structure MOL file  
Source Organisms  
Biological Activities  
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