Natural Product: NPC130730

Natural Product ID:  NPC130730
Common Name:   Picroside Ii
IUPAC Name:   [(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl] 4-hydroxy-3-methoxybenzoate
Synonyms:   Picroside II
Molecular Formula:   C23H28O13
Standard InCHIKey:  AKNILCMFRRDTEY-NUGKWEEESA-N
Standard InCHI:  InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3OC(=O)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)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
NPO9835 Catalpa ovata Species Bignoniaceae Eukaryota stem bark Medicinal Plant Garden, College of Pharmacy, Ewha Womans University 2013-DEC PMID[28787158]
NPO9550 Eritrichium incanum Species Boraginaceae Eukaryota UNPD*
NPO12653 Diacarnus levii Species Podospongiidae Eukaryota UNPD*
NPO396 Ventilago goughii Species Rhamnaceae Eukaryota UNPD*
NPO1790 Plectranthus comosus Species Lamiaceae Eukaryota UNPD*
NPO14462 Jasonia tuberosa Species Asteraceae Eukaryota UNPD*
NPO1314 Goodenia strophiolata Species Goodeniaceae Eukaryota UNPD*
NPO11397 Cladophora rupestris Species Cladophoraceae Eukaryota UNPD*
NPO11491 Vellozia declinans Species Velloziaceae Eukaryota UNPD*
NPO2289 Vicia hirsuta Species Fabaceae Eukaryota UNPD*
NPO3432 Tovomita brasiliensis Species Clusiaceae Eukaryota UNPD*
NPO7648 Geigeria plumosa Species Asteraceae Eukaryota UNPD*
NPO10102 Pithecellobium albicans Species Fabaceae Eukaryota UNPD*
NPO12418 Myroxylon peruiferum Species Fabaceae Eukaryota UNPD*
NPO10553 Heterophyllaea pustulata Species Rubiaceae Eukaryota UNPD*
NPO7006 Garcinia subelliptica Species Clusiaceae Eukaryota UNPD*
NPO14818 Neofusicoccum mangiferae Species Botryosphaeriaceae Eukaryota UNPD*
NPO11674 Viburnum lantanoides Species Adoxaceae Eukaryota UNPD*
NPO13466 Atroxima afzeliana Species Polygalaceae Eukaryota UNPD*
NPO12762 Elattostachys apetala Species Sapindaceae Eukaryota UNPD*
NPO3671 Rhodiola coccinea Species Crassulaceae Eukaryota UNPD*
NPO9254 Scutellaria racemosa Species Lamiaceae Eukaryota UNPD*
NPO12526 Veronica turrilliana Species Plantaginaceae Eukaryota UNPD*
NPO5908 Dianella tasmanica Species Asphodelaceae Eukaryota UNPD*
NPO3093 Phyllanthus tenellus Species Phyllanthaceae Eukaryota UNPD*
NPO4923 Ononis hircina Species Fabaceae Eukaryota UNPD*
NPO1455 Aspergillus caelatus Species Aspergillaceae Eukaryota UNPD*
NPO5311 Isertia haenkeana Species Rubiaceae Eukaryota UNPD*
NPO11255 Veronica thomsonii Species Plantaginaceae Eukaryota UNPD*
NPO12175 Iostephane heterophylla Species Asteraceae Eukaryota UNPD*
NPO5173 Antidesma pentandrum Species Phyllanthaceae Eukaryota UNPD*
NPO9908 Adenium somalense Species Apocynaceae Eukaryota UNPD*
NPO14776 Petrosia weinbergi Species Petrosiidae Eukaryota UNPD*
NPO8416 Picrorhiza kurrooa Species Plantaginaceae Eukaryota TM-MC*
NPO12047 Solanum unguiculatum Species Solanaceae Eukaryota UNPD*
NPO14720 Neopicrorhiza scrophulariiflora Species Plantaginaceae Eukaryota TM-MC*
NPO13096 Lecidea kochiana Species Lecideaceae Eukaryota UNPD*
NPO1150 Juncus effusus Species Juncaceae Eukaryota UNPD*
NPO7323 Lindera pipericarpa Species Tineidae Eukaryota UNPD*
NPO26737 Solanum mauritianum Species Solanaceae Eukaryota UNPD*
NPO2576 Eusideroxylon zwageri Species Lauraceae Eukaryota UNPD*
NPO10092 Hesperocyparis bakeri Species Cupressaceae Eukaryota UNPD*
NPO9561 Preussia australis Species Sporormiaceae Eukaryota UNPD*
NPO14254 Kandelia candel Species Rhizophoraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 103 % 6677713
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 101 % 6677713
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 78 % 6677713
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 27 IU/L 6677713
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 28 IU/L 6677713
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 40 IU/L 6677713
NPT32 Organism Mus musculus Mus musculus Activity = 46 % 10395515
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 31.6 % 19904996
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 59.4 % 19904996
NPT1 Others Radical scavenging activity IC50 = 6.0 ± 0.01 µM 28787158

  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 NPC130730 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 NPC301910
0.9808 High Similarity NPC206815
0.9808 High Similarity NPC476011
0.9679 High Similarity NPC138993
0.9554 High Similarity NPC474936
0.9359 High Similarity NPC478232
0.9295 High Similarity NPC89693
0.9295 High Similarity NPC229548
0.9295 High Similarity NPC478241
0.9264 High Similarity NPC21956
0.9259 High Similarity NPC282551
0.9245 High Similarity NPC179914
0.9231 High Similarity NPC194705
0.9057 High Similarity NPC475484
0.9045 High Similarity NPC269914
0.9045 High Similarity NPC478249
0.9038 High Similarity NPC478236
0.9038 High Similarity NPC478234
0.9036 High Similarity NPC470685
0.9018 High Similarity NPC109990
0.9 High Similarity NPC478248
0.8987 High Similarity NPC203664
0.8981 High Similarity NPC147224
0.8963 High Similarity NPC180586
0.8957 High Similarity NPC145847
0.8951 High Similarity NPC478265
0.8944 High Similarity NPC226759
0.8931 High Similarity NPC229354
0.8924 High Similarity NPC289021
0.8924 High Similarity NPC158546
0.891 High Similarity NPC18789
0.8875 High Similarity NPC327032
0.8875 High Similarity NPC191046
0.8875 High Similarity NPC194095
0.8854 High Similarity NPC308178
0.8846 High Similarity NPC474234
0.8827 High Similarity NPC187205
0.8827 High Similarity NPC286919
0.8827 High Similarity NPC475663
0.8805 High Similarity NPC475379
0.879 High Similarity NPC473149
0.8773 High Similarity NPC469384
0.8765 High Similarity NPC471405
0.8765 High Similarity NPC475378
0.875 High Similarity NPC36130
0.875 High Similarity NPC134905
0.8742 High Similarity NPC240592
0.8742 High Similarity NPC117346
0.8727 High Similarity NPC41009
0.8726 High Similarity NPC473867
0.8718 High Similarity NPC478240
0.8712 High Similarity NPC472860
0.8712 High Similarity NPC133984
0.8704 High Similarity NPC10205
0.8679 High Similarity NPC96599
0.8659 High Similarity NPC289811
0.8659 High Similarity NPC160780
0.865 High Similarity NPC478266
0.8634 High Similarity NPC289438
0.8634 High Similarity NPC478235
0.8625 High Similarity NPC205054
0.8606 High Similarity NPC239966
0.8606 High Similarity NPC203020
0.8599 High Similarity NPC473281
0.8599 High Similarity NPC77922
0.8598 High Similarity NPC1913
0.858 High Similarity NPC105827
0.858 High Similarity NPC137813
0.858 High Similarity NPC310661
0.858 High Similarity NPC157898
0.8562 High Similarity NPC478242
0.8562 High Similarity NPC111785
0.8554 High Similarity NPC311803
0.8554 High Similarity NPC472859
0.8554 High Similarity NPC25389
0.8545 High Similarity NPC76211
0.8539 High Similarity NPC475299
0.8535 High Similarity NPC237872
0.8535 High Similarity NPC302286
0.8535 High Similarity NPC263397
0.8535 High Similarity NPC116104
0.8535 High Similarity NPC88754
0.8526 High Similarity NPC46644
0.8509 High Similarity NPC227980
0.8503 High Similarity NPC285108
0.8503 High Similarity NPC33298
0.8494 Intermediate Similarity NPC166277
0.8494 Intermediate Similarity NPC119125
0.8488 Intermediate Similarity NPC469438
0.8485 Intermediate Similarity NPC4747
0.8485 Intermediate Similarity NPC49173
0.8485 Intermediate Similarity NPC104275
0.8476 Intermediate Similarity NPC156624
0.8476 Intermediate Similarity NPC172920
0.8466 Intermediate Similarity NPC96194
0.8466 Intermediate Similarity NPC299855
0.8466 Intermediate Similarity NPC44730
0.8452 Intermediate Similarity NPC100420
0.8447 Intermediate Similarity NPC98809
0.8447 Intermediate Similarity NPC476394
0.8434 Intermediate Similarity NPC74319
0.8434 Intermediate Similarity NPC287872
0.843 Intermediate Similarity NPC316539
0.8418 Intermediate Similarity NPC189704
0.8418 Intermediate Similarity NPC152796
0.8418 Intermediate Similarity NPC475213
0.8415 Intermediate Similarity NPC472128
0.8415 Intermediate Similarity NPC472127
0.8405 Intermediate Similarity NPC267091
0.8402 Intermediate Similarity NPC475738
0.8397 Intermediate Similarity NPC49597
0.8395 Intermediate Similarity NPC69367
0.8385 Intermediate Similarity NPC472969
0.8383 Intermediate Similarity NPC289346
0.8382 Intermediate Similarity NPC84482
0.8382 Intermediate Similarity NPC169645
0.8382 Intermediate Similarity NPC469354
0.8375 Intermediate Similarity NPC37838
0.8371 Intermediate Similarity NPC476067
0.8371 Intermediate Similarity NPC475121
0.8365 Intermediate Similarity NPC251062
0.8365 Intermediate Similarity NPC296659
0.8365 Intermediate Similarity NPC202391
0.8365 Intermediate Similarity NPC184464
0.8364 Intermediate Similarity NPC38699
0.8354 Intermediate Similarity NPC299706
0.8354 Intermediate Similarity NPC61604
0.8354 Intermediate Similarity NPC245615
0.8354 Intermediate Similarity NPC115466
0.8344 Intermediate Similarity NPC140151
0.8344 Intermediate Similarity NPC243891
0.8333 Intermediate Similarity NPC92117
0.8313 Intermediate Similarity NPC163635
0.8313 Intermediate Similarity NPC108455
0.8304 Intermediate Similarity NPC116745
0.8304 Intermediate Similarity NPC208818
0.8303 Intermediate Similarity NPC476364
0.8302 Intermediate Similarity NPC186296
0.8302 Intermediate Similarity NPC242756
0.8295 Intermediate Similarity NPC188217
0.8294 Intermediate Similarity NPC472130
0.8294 Intermediate Similarity NPC472131
0.8291 Intermediate Similarity NPC154262
0.8291 Intermediate Similarity NPC7518
0.8291 Intermediate Similarity NPC159387
0.8291 Intermediate Similarity NPC137501
0.8284 Intermediate Similarity NPC246024
0.8284 Intermediate Similarity NPC4013
0.8284 Intermediate Similarity NPC90905
0.828 Intermediate Similarity NPC226005
0.828 Intermediate Similarity NPC220936
0.828 Intermediate Similarity NPC31745
0.8272 Intermediate Similarity NPC120621
0.8272 Intermediate Similarity NPC248257
0.8269 Intermediate Similarity NPC157554
0.8261 Intermediate Similarity NPC98356
0.8256 Intermediate Similarity NPC658
0.8256 Intermediate Similarity NPC197708
0.8253 Intermediate Similarity NPC145425
0.825 Intermediate Similarity NPC229036
0.825 Intermediate Similarity NPC110063
0.8249 Intermediate Similarity NPC473776
0.8249 Intermediate Similarity NPC473205
0.8239 Intermediate Similarity NPC140502
0.8239 Intermediate Similarity NPC296643
0.8232 Intermediate Similarity NPC474620
0.8229 Intermediate Similarity NPC473713
0.8222 Intermediate Similarity NPC71385
0.8222 Intermediate Similarity NPC230670
0.8221 Intermediate Similarity NPC161955
0.8221 Intermediate Similarity NPC75945
0.8218 Intermediate Similarity NPC163165
0.8218 Intermediate Similarity NPC195972
0.8208 Intermediate Similarity NPC472129
0.8208 Intermediate Similarity NPC212748
0.8208 Intermediate Similarity NPC43434
0.8204 Intermediate Similarity NPC478055
0.8199 Intermediate Similarity NPC469683
0.8198 Intermediate Similarity NPC298847
0.8187 Intermediate Similarity NPC478239
0.8182 Intermediate Similarity NPC75695
0.8177 Intermediate Similarity NPC112708
0.8176 Intermediate Similarity NPC148273
0.8176 Intermediate Similarity NPC80098
0.8176 Intermediate Similarity NPC22324
0.8171 Intermediate Similarity NPC158635
0.8171 Intermediate Similarity NPC229882
0.8166 Intermediate Similarity NPC239818
0.8166 Intermediate Similarity NPC476337
0.8166 Intermediate Similarity NPC218471
0.8166 Intermediate Similarity NPC44507
0.8165 Intermediate Similarity NPC100389
0.8161 Intermediate Similarity NPC5786
0.8161 Intermediate Similarity NPC235575
0.8161 Intermediate Similarity NPC254540
0.8161 Intermediate Similarity NPC172807
0.8161 Intermediate Similarity NPC102851
0.8161 Intermediate Similarity NPC211594
0.816 Intermediate Similarity NPC98009
0.8155 Intermediate Similarity NPC223335

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC130730 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
0.9689 High Similarity NPD7685 Pre-registration
0.8092 Intermediate Similarity NPD3818 Discontinued
0.8034 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7966 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD7054 Approved
0.7898 Intermediate Similarity NPD7472 Approved
0.7797 Intermediate Similarity NPD7074 Phase 3
0.7784 Intermediate Similarity NPD1653 Approved
0.7778 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7758 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD6797 Phase 2
0.7744 Intermediate Similarity NPD6190 Approved
0.7716 Intermediate Similarity NPD7266 Discontinued
0.7709 Intermediate Similarity NPD7251 Discontinued
0.7701 Intermediate Similarity NPD7199 Phase 2
0.7688 Intermediate Similarity NPD6234 Discontinued
0.7684 Intermediate Similarity NPD7228 Approved
0.7667 Intermediate Similarity NPD7808 Phase 3
0.763 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD230 Phase 1
0.7619 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD37 Approved
0.7572 Intermediate Similarity NPD4966 Approved
0.7572 Intermediate Similarity NPD4965 Approved
0.7572 Intermediate Similarity NPD4967 Phase 2
0.7514 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1934 Approved
0.747 Intermediate Similarity NPD4628 Phase 3
0.7468 Intermediate Similarity NPD9494 Approved
0.7457 Intermediate Similarity NPD2801 Approved
0.7414 Intermediate Similarity NPD3817 Phase 2
0.7374 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD6166 Phase 2
0.7371 Intermediate Similarity NPD3882 Suspended
0.7363 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD1465 Phase 2
0.7348 Intermediate Similarity NPD5844 Phase 1
0.734 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7322 Intermediate Similarity NPD6559 Discontinued
0.7303 Intermediate Similarity NPD8127 Discontinued
0.7283 Intermediate Similarity NPD7028 Phase 2
0.7283 Intermediate Similarity NPD4380 Phase 2
0.7263 Intermediate Similarity NPD6232 Discontinued
0.7256 Intermediate Similarity NPD6653 Approved
0.7253 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7243 Intermediate Similarity NPD8312 Approved
0.7243 Intermediate Similarity NPD8313 Approved
0.7238 Intermediate Similarity NPD7473 Discontinued
0.7228 Intermediate Similarity NPD7240 Approved
0.7216 Intermediate Similarity NPD5353 Approved
0.7151 Intermediate Similarity NPD5494 Approved
0.7151 Intermediate Similarity NPD6273 Approved
0.7143 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7075 Discontinued
0.7135 Intermediate Similarity NPD1511 Approved
0.7104 Intermediate Similarity NPD3751 Discontinued
0.7091 Intermediate Similarity NPD447 Suspended
0.7062 Intermediate Similarity NPD8455 Phase 2
0.7059 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD1512 Approved
0.7051 Intermediate Similarity NPD9545 Approved
0.7045 Intermediate Similarity NPD6386 Approved
0.7045 Intermediate Similarity NPD6385 Approved
0.7044 Intermediate Similarity NPD7930 Approved
0.7029 Intermediate Similarity NPD7458 Discontinued
0.7022 Intermediate Similarity NPD5402 Approved
0.7011 Intermediate Similarity NPD7799 Discontinued
0.7006 Intermediate Similarity NPD6801 Discontinued
0.7 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6988 Remote Similarity NPD1933 Approved
0.6985 Remote Similarity NPD7999 Approved
0.6982 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6982 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6982 Remote Similarity NPD6004 Phase 3
0.6982 Remote Similarity NPD6005 Phase 3
0.6982 Remote Similarity NPD6002 Phase 3
0.6978 Remote Similarity NPD3787 Discontinued
0.6975 Remote Similarity NPD5647 Approved
0.697 Remote Similarity NPD7435 Discontinued
0.6966 Remote Similarity NPD5761 Phase 2
0.6966 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6966 Remote Similarity NPD7819 Suspended
0.6966 Remote Similarity NPD5760 Phase 2
0.6959 Remote Similarity NPD4110 Phase 3
0.6959 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6951 Remote Similarity NPD3027 Phase 3
0.6947 Remote Similarity NPD8434 Phase 2
0.6939 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6937 Remote Similarity NPD9269 Phase 2
0.6928 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6928 Remote Similarity NPD3620 Phase 2
0.6909 Remote Similarity NPD3764 Approved
0.6904 Remote Similarity NPD6781 Approved
0.6904 Remote Similarity NPD6782 Approved
0.6904 Remote Similarity NPD6780 Approved
0.6904 Remote Similarity NPD6777 Approved
0.6904 Remote Similarity NPD6778 Approved
0.6904 Remote Similarity NPD6776 Approved
0.6904 Remote Similarity NPD6779 Approved
0.6901 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6897 Remote Similarity NPD2534 Approved
0.6897 Remote Similarity NPD2532 Approved
0.6897 Remote Similarity NPD2533 Approved
0.6884 Remote Similarity NPD7680 Approved
0.6884 Remote Similarity NPD7497 Discontinued
0.6875 Remote Similarity NPD3705 Approved
0.6871 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6864 Remote Similarity NPD7033 Discontinued
0.6848 Remote Similarity NPD5242 Approved
0.6842 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6839 Remote Similarity NPD6799 Approved
0.6824 Remote Similarity NPD2935 Discontinued
0.6818 Remote Similarity NPD5403 Approved
0.6802 Remote Similarity NPD6674 Discontinued
0.6798 Remote Similarity NPD8151 Discontinued
0.6792 Remote Similarity NPD1357 Approved
0.6786 Remote Similarity NPD6355 Discontinued
0.6784 Remote Similarity NPD5762 Approved
0.6784 Remote Similarity NPD5763 Approved
0.6777 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6772 Remote Similarity NPD6765 Approved
0.6772 Remote Similarity NPD7038 Approved
0.6772 Remote Similarity NPD7039 Approved
0.6772 Remote Similarity NPD6764 Approved
0.6771 Remote Similarity NPD8150 Discontinued
0.677 Remote Similarity NPD1091 Approved
0.6765 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6765 Remote Similarity NPD1510 Phase 2
0.6765 Remote Similarity NPD7874 Approved
0.6763 Remote Similarity NPD8166 Discontinued
0.6763 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6763 Remote Similarity NPD3750 Approved
0.676 Remote Similarity NPD7411 Suspended
0.6744 Remote Similarity NPD1549 Phase 2
0.6742 Remote Similarity NPD3455 Phase 2
0.674 Remote Similarity NPD5977 Approved
0.674 Remote Similarity NPD5978 Approved
0.674 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6732 Remote Similarity NPD7783 Phase 2
0.6732 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6728 Remote Similarity NPD1608 Approved
0.6726 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6726 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6726 Remote Similarity NPD1613 Approved
0.6721 Remote Similarity NPD919 Approved
0.6716 Remote Similarity NPD7696 Phase 3
0.6716 Remote Similarity NPD7698 Approved
0.6716 Remote Similarity NPD7697 Approved
0.6707 Remote Similarity NPD6362 Approved
0.6706 Remote Similarity NPD7097 Phase 1
0.6705 Remote Similarity NPD5401 Approved
0.6705 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6704 Remote Similarity NPD6599 Discontinued
0.6687 Remote Similarity NPD9268 Approved
0.6686 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6686 Remote Similarity NPD7236 Approved
0.6686 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6683 Remote Similarity NPD8320 Phase 1
0.6683 Remote Similarity NPD8319 Approved
0.6683 Remote Similarity NPD7871 Phase 2
0.6683 Remote Similarity NPD7870 Phase 2
0.6667 Remote Similarity NPD6823 Phase 2
0.6667 Remote Similarity NPD3749 Approved
0.6667 Remote Similarity NPD6233 Phase 2
0.6667 Remote Similarity NPD7701 Phase 2
0.6667 Remote Similarity NPD7585 Approved
0.665 Remote Similarity NPD7801 Approved
0.665 Remote Similarity NPD6535 Approved
0.665 Remote Similarity NPD6534 Approved
0.6648 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6648 Remote Similarity NPD3226 Approved
0.6633 Remote Similarity NPD7296 Approved
0.6632 Remote Similarity NPD6785 Approved
0.6632 Remote Similarity NPD6784 Approved
0.6631 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6628 Remote Similarity NPD2796 Approved
0.6627 Remote Similarity NPD4140 Approved
0.6627 Remote Similarity NPD2861 Phase 2
0.6618 Remote Similarity NPD7583 Approved
0.661 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6607 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6592 Remote Similarity NPD7239 Suspended
0.6578 Remote Similarity NPD3926 Phase 2
0.657 Remote Similarity NPD2799 Discontinued
0.6568 Remote Similarity NPD6663 Approved
0.6566 Remote Similarity NPD2798 Approved
0.6562 Remote Similarity NPD5536 Phase 2
0.6559 Remote Similarity NPD1247 Approved
0.6559 Remote Similarity NPD6959 Discontinued
0.6556 Remote Similarity NPD824 Approved
0.655 Remote Similarity NPD7699 Phase 2
0.655 Remote Similarity NPD4420 Approved
0.655 Remote Similarity NPD7700 Phase 2
0.6545 Remote Similarity NPD1876 Approved
0.6543 Remote Similarity NPD17 Approved
0.6537 Remote Similarity NPD7584 Approved

Structure

External Identifiers

PubChem CID   11944602
ChEMBL   CHEMBL510404
ZINC  

Physicochemical Properties

Molecular Weight:  512.15
ALogP:  -4.4862
MLogP:  2.56
XLogP:  -1.261
# Rotatable Bonds:  15
Polar Surface Area:  197.13
# H-Bond Aceptor:  11
# H-Bond Donor:  6
# Rings:  5
# Heavy Atoms:  36

Download Data

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Biological Activities  
Similar NPs/Drugs