Natural Product: NPC28198

Natural Product ID:  NPC28198
Common Name:   Delta-Hederin
IUPAC Name:   (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Synonyms:   Delta-Hederin
Molecular Formula:   C35H56O8
Standard InCHIKey:  QUBNLZCADIYAFW-RITZIESXSA-N
Standard InCHI:  InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22-,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1
Canonical SMILES:  OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@@H]1OC[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
NPO5621 Arisaema erubescens Species Araceae Eukaryota UNPD*
NPO957 Sapindus mukorossi Species Sapindaceae Eukaryota UNPD*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota UNPD*
NPO6729 Juniperus brevifolia Species Cupressaceae Eukaryota UNPD*
NPO6237 Cryptocarya aschersoniana Species Lauraceae Eukaryota UNPD*
NPO6496 Strongylosoma tambanum Species Paradoxosomatidae Eukaryota UNPD*
NPO3597 Rheedia acuminata Species Clusiaceae Eukaryota UNPD*
NPO471 Ardisia neriifolia Species Primulaceae Eukaryota UNPD*
NPO4823 Psiadia dentata Species Asteraceae Eukaryota UNPD*
NPO5196 Eupatorium argentinum Species Asteraceae Eukaryota UNPD*
NPO6092 Symphyocladia latiuscula Species Rhodomelaceae Eukaryota UNPD*
NPO18202 Lobelia radicans Species Campanulaceae Eukaryota UNPD*
NPO19203 Caltha polypetala Species Ranunculaceae Eukaryota UNPD*
NPO6170 Caulis akebiae NA NA NA TCMSP*
NPO123 Pulsatilliae radix NA NA NA TCMSP*
NPO1081 Parochetus communis Species Fabaceae Eukaryota UNPD*
NPO223 Rhaponticum carthamoides Species Asteraceae Eukaryota TCMID*
NPO6583 Clematis chinensis Species Ranunculaceae Eukaryota TCMID*
NPO12214 Leontice robustum Species Berberidaceae Eukaryota TCMID*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TCMID*
NPO16143.1 Phyllanthus polyphyllus Under-species NA NA Leaves PMID[16038539]
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TCMID*
NPO32682 anemone taipaiensis Species Ranunculaceae Eukaryota Rhizomes PMID[23992864]
NPO18443 Aristolochia manshuriensis Species Aristolochiaceae Eukaryota TCMID*
NPO7569 Guatteria boliviana Species Annonaceae Eukaryota UNPD*
NPO9481 Strophanthus divaricatus Species Apocynaceae Eukaryota TCMID*
NPO5155 Peritassa compta Species Celastraceae Eukaryota UNPD*
NPO1373 Pulsatilla chinensis Species Ranunculaceae Eukaryota TCMID*
NPO3853 Aspidosperma subincanum Species Apocynaceae Eukaryota UNPD*
NPO11673 Koelreuteria paniculata Species Sapindaceae Eukaryota TCMID*
NPO4690 Aphloia theiformis Species Aphloiaceae Eukaryota UNPD*
NPO8516 Dipsacus asperoides Species Caprifoliaceae Eukaryota TCMID*
NPO19948 Neolentinus lepideus Species Gloeophyllaceae Eukaryota UNPD*
NPO20930 Patrinia scabiosifolia Species Caprifoliaceae Eukaryota TCMID*
NPO5069 Ekebergia senegalensis Species Meliaceae Eukaryota UNPD*
NPO11192 Hedera helix Species Araliaceae Eukaryota TCMID*
NPO3699 Acacia aulacocarpa Species Fabaceae Eukaryota UNPD*
NPO4635 Patrinia sp. Species Caprifoliaceae Eukaryota TCMID*
NPO8418 Anemone flaccida Species Ranunculaceae Eukaryota UNPD*
NPO18854 Jamesonia scammaniae Species Pteridaceae Eukaryota UNPD*
NPO2814 Peperomia amplexicaulis Species Piperaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 = 58000 nM 19200744
NPT579 Cell Line DLD-1 Homo sapiens IC50 = 57000 nM 19200744
NPT81 Cell Line A549 Homo sapiens IC50 = 40000 nM 19200744
NPT579 Cell Line DLD-1 Homo sapiens IC50 = 54000 nM 19200744
NPT2 Others Unspecified IC50 = 18450 nM 23992864
NPT165 Cell Line HeLa Homo sapiens IC50 = 27670 nM 23992864
NPT81 Cell Line A549 Homo sapiens IC50 = 29710 nM 23992864
NPT116 Cell Line HL-60 Homo sapiens IC50 = 14520 nM 23992864
NPT65 Cell Line HepG2 Homo sapiens IC50 = 19120 nM 23992864

  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 NPC28198 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 NPC476123
1.0 High Similarity NPC177246
1.0 High Similarity NPC284807
0.99 High Similarity NPC237503
0.99 High Similarity NPC204407
0.99 High Similarity NPC127853
0.99 High Similarity NPC57362
0.99 High Similarity NPC167383
0.99 High Similarity NPC306746
0.9899 High Similarity NPC283849
0.9899 High Similarity NPC473538
0.9802 High Similarity NPC174679
0.9802 High Similarity NPC279554
0.9802 High Similarity NPC102914
0.9802 High Similarity NPC274507
0.9802 High Similarity NPC476887
0.9802 High Similarity NPC75747
0.9802 High Similarity NPC90856
0.9802 High Similarity NPC474589
0.9802 High Similarity NPC59804
0.9802 High Similarity NPC270667
0.9802 High Similarity NPC242611
0.9802 High Similarity NPC68419
0.9802 High Similarity NPC199457
0.9802 High Similarity NPC127056
0.9802 High Similarity NPC475296
0.9802 High Similarity NPC108709
0.9802 High Similarity NPC136877
0.9802 High Similarity NPC7870
0.9802 High Similarity NPC476880
0.9802 High Similarity NPC476882
0.9802 High Similarity NPC476886
0.9802 High Similarity NPC476881
0.9802 High Similarity NPC29069
0.9802 High Similarity NPC56713
0.9802 High Similarity NPC476885
0.9802 High Similarity NPC476883
0.9802 High Similarity NPC476884
0.9802 High Similarity NPC110139
0.9802 High Similarity NPC164194
0.9798 High Similarity NPC475611
0.9706 High Similarity NPC179434
0.9706 High Similarity NPC297208
0.9706 High Similarity NPC164419
0.9706 High Similarity NPC211798
0.9706 High Similarity NPC191763
0.9706 High Similarity NPC31839
0.9706 High Similarity NPC235841
0.9706 High Similarity NPC108748
0.9706 High Similarity NPC473481
0.9706 High Similarity NPC30397
0.9703 High Similarity NPC137917
0.9612 High Similarity NPC80843
0.9612 High Similarity NPC1046
0.9612 High Similarity NPC10320
0.9612 High Similarity NPC46388
0.9612 High Similarity NPC102439
0.9612 High Similarity NPC128925
0.9612 High Similarity NPC257468
0.9612 High Similarity NPC48249
0.9612 High Similarity NPC469946
0.9612 High Similarity NPC139894
0.9612 High Similarity NPC475516
0.9612 High Similarity NPC100383
0.9612 High Similarity NPC471383
0.9612 High Similarity NPC104400
0.9612 High Similarity NPC37739
0.9612 High Similarity NPC104071
0.9612 High Similarity NPC116794
0.9612 High Similarity NPC324875
0.9612 High Similarity NPC109079
0.9612 High Similarity NPC101744
0.9612 High Similarity NPC276093
0.9612 High Similarity NPC292677
0.9612 High Similarity NPC79718
0.9612 High Similarity NPC139044
0.9612 High Similarity NPC471967
0.9612 High Similarity NPC256798
0.9612 High Similarity NPC475504
0.9612 High Similarity NPC473383
0.9612 High Similarity NPC473373
0.9608 High Similarity NPC78046
0.9608 High Similarity NPC220984
0.9608 High Similarity NPC269095
0.9519 High Similarity NPC73318
0.9519 High Similarity NPC271138
0.9519 High Similarity NPC189884
0.9519 High Similarity NPC309714
0.9519 High Similarity NPC241909
0.9519 High Similarity NPC134835
0.9519 High Similarity NPC204458
0.9519 High Similarity NPC138334
0.9519 High Similarity NPC114304
0.9519 High Similarity NPC46665
0.9519 High Similarity NPC475287
0.9519 High Similarity NPC473343
0.9519 High Similarity NPC475467
0.9519 High Similarity NPC47063
0.9519 High Similarity NPC251263
0.9519 High Similarity NPC219180
0.9519 High Similarity NPC258885
0.9519 High Similarity NPC133818
0.9519 High Similarity NPC114287
0.9519 High Similarity NPC151543
0.9519 High Similarity NPC192600
0.9519 High Similarity NPC323341
0.9519 High Similarity NPC475208
0.9519 High Similarity NPC150400
0.9519 High Similarity NPC96641
0.9519 High Similarity NPC155410
0.9519 High Similarity NPC124296
0.9519 High Similarity NPC174720
0.9519 High Similarity NPC166422
0.9519 High Similarity NPC295823
0.9519 High Similarity NPC163183
0.9519 High Similarity NPC238935
0.9519 High Similarity NPC269315
0.9519 High Similarity NPC473826
0.9429 High Similarity NPC54636
0.9429 High Similarity NPC71065
0.9429 High Similarity NPC261506
0.9429 High Similarity NPC57484
0.9429 High Similarity NPC475140
0.9429 High Similarity NPC475160
0.9429 High Similarity NPC294453
0.9429 High Similarity NPC60557
0.9429 High Similarity NPC70809
0.9429 High Similarity NPC65105
0.9429 High Similarity NPC293330
0.9429 High Similarity NPC471385
0.9429 High Similarity NPC204414
0.9429 High Similarity NPC76972
0.9429 High Similarity NPC100639
0.9429 High Similarity NPC298034
0.9429 High Similarity NPC202828
0.9429 High Similarity NPC224381
0.9429 High Similarity NPC305981
0.9429 High Similarity NPC309907
0.9429 High Similarity NPC227551
0.9429 High Similarity NPC119592
0.9429 High Similarity NPC41061
0.9429 High Similarity NPC4328
0.9429 High Similarity NPC236638
0.9429 High Similarity NPC43550
0.9429 High Similarity NPC161717
0.9429 High Similarity NPC250247
0.9429 High Similarity NPC471550
0.9429 High Similarity NPC475633
0.9429 High Similarity NPC469782
0.9429 High Similarity NPC67857
0.9429 High Similarity NPC476068
0.9429 High Similarity NPC123199
0.9429 High Similarity NPC79643
0.9429 High Similarity NPC473714
0.9429 High Similarity NPC475486
0.9429 High Similarity NPC164389
0.9412 High Similarity NPC285576
0.934 High Similarity NPC291903
0.934 High Similarity NPC51465
0.934 High Similarity NPC58448
0.934 High Similarity NPC26626
0.934 High Similarity NPC160415
0.934 High Similarity NPC476992
0.934 High Similarity NPC75287
0.934 High Similarity NPC161674
0.934 High Similarity NPC37134
0.934 High Similarity NPC471384
0.934 High Similarity NPC305267
0.934 High Similarity NPC288205
0.9327 High Similarity NPC190837
0.9307 High Similarity NPC173583
0.9252 High Similarity NPC110633
0.9252 High Similarity NPC471547
0.9252 High Similarity NPC220160
0.9252 High Similarity NPC323359
0.9252 High Similarity NPC470876
0.9252 High Similarity NPC473405
0.9252 High Similarity NPC286457
0.9252 High Similarity NPC85154
0.9252 High Similarity NPC309223
0.9252 High Similarity NPC33012
0.9252 High Similarity NPC475514
0.9252 High Similarity NPC68175
0.9252 High Similarity NPC475209
0.9252 High Similarity NPC191827
0.9252 High Similarity NPC69811
0.9252 High Similarity NPC475119
0.9252 High Similarity NPC473452
0.9252 High Similarity NPC8524
0.9252 High Similarity NPC148417
0.9252 High Similarity NPC123522
0.9252 High Similarity NPC104137
0.9252 High Similarity NPC185466
0.9252 High Similarity NPC300419
0.9252 High Similarity NPC102505
0.9252 High Similarity NPC136768
0.9252 High Similarity NPC473824
0.9238 High Similarity NPC212968
0.9238 High Similarity NPC65590
0.9238 High Similarity NPC64106

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC28198 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
0.8952 High Similarity NPD8132 Clinical (unspecified phase)
0.8761 High Similarity NPD8328 Phase 3
0.8727 High Similarity NPD8295 Clinical (unspecified phase)
0.8288 Intermediate Similarity NPD8133 Approved
0.8241 Intermediate Similarity NPD6412 Phase 2
0.8235 Intermediate Similarity NPD7748 Approved
0.8173 Intermediate Similarity NPD7902 Approved
0.8165 Intermediate Similarity NPD6686 Approved
0.8039 Intermediate Similarity NPD7515 Phase 2
0.7983 Intermediate Similarity NPD7507 Approved
0.7885 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7885 Intermediate Similarity NPD7900 Approved
0.7863 Intermediate Similarity NPD8377 Approved
0.7863 Intermediate Similarity NPD8294 Approved
0.7797 Intermediate Similarity NPD8033 Approved
0.7797 Intermediate Similarity NPD8380 Approved
0.7797 Intermediate Similarity NPD8296 Approved
0.7797 Intermediate Similarity NPD8378 Approved
0.7797 Intermediate Similarity NPD8379 Approved
0.7797 Intermediate Similarity NPD8335 Approved
0.7787 Intermediate Similarity NPD7319 Approved
0.7705 Intermediate Similarity NPD7736 Approved
0.7692 Intermediate Similarity NPD7327 Approved
0.7692 Intermediate Similarity NPD7328 Approved
0.7627 Intermediate Similarity NPD7516 Approved
0.7524 Intermediate Similarity NPD8034 Phase 2
0.7524 Intermediate Similarity NPD8035 Phase 2
0.75 Intermediate Similarity NPD7503 Approved
0.75 Intermediate Similarity NPD8513 Phase 3
0.75 Intermediate Similarity NPD8516 Approved
0.75 Intermediate Similarity NPD8515 Approved
0.75 Intermediate Similarity NPD8517 Approved
0.748 Intermediate Similarity NPD8293 Discontinued
0.7414 Intermediate Similarity NPD6882 Approved
0.7414 Intermediate Similarity NPD8297 Approved
0.7374 Intermediate Similarity NPD7645 Phase 2
0.7295 Intermediate Similarity NPD6370 Approved
0.729 Intermediate Similarity NPD6399 Phase 3
0.7282 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7638 Approved
0.7257 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD7640 Approved
0.7207 Intermediate Similarity NPD7639 Approved
0.7193 Intermediate Similarity NPD6675 Approved
0.7193 Intermediate Similarity NPD6402 Approved
0.7193 Intermediate Similarity NPD5739 Approved
0.7193 Intermediate Similarity NPD7128 Approved
0.7177 Intermediate Similarity NPD7492 Approved
0.7167 Intermediate Similarity NPD6009 Approved
0.7155 Intermediate Similarity NPD6373 Approved
0.7155 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD6372 Approved
0.7131 Intermediate Similarity NPD6319 Approved
0.7131 Intermediate Similarity NPD6059 Approved
0.7131 Intermediate Similarity NPD6054 Approved
0.712 Intermediate Similarity NPD6616 Approved
0.7097 Intermediate Similarity NPD6067 Discontinued
0.7069 Intermediate Similarity NPD6881 Approved
0.7069 Intermediate Similarity NPD7320 Approved
0.7069 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD6899 Approved
0.7063 Intermediate Similarity NPD7078 Approved
0.7059 Intermediate Similarity NPD4632 Approved
0.7037 Intermediate Similarity NPD6411 Approved
0.7034 Intermediate Similarity NPD6650 Approved
0.7034 Intermediate Similarity NPD8130 Phase 1
0.7034 Intermediate Similarity NPD6649 Approved
0.7034 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD7115 Discovery
0.6983 Remote Similarity NPD5697 Approved
0.6983 Remote Similarity NPD5701 Approved
0.6949 Remote Similarity NPD7290 Approved
0.6949 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6949 Remote Similarity NPD7102 Approved
0.6949 Remote Similarity NPD6883 Approved
0.6935 Remote Similarity NPD6016 Approved
0.6935 Remote Similarity NPD6015 Approved
0.6916 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6891 Remote Similarity NPD6617 Approved
0.6891 Remote Similarity NPD6847 Approved
0.6891 Remote Similarity NPD6869 Approved
0.6887 Remote Similarity NPD3618 Phase 1
0.688 Remote Similarity NPD5988 Approved
0.6875 Remote Similarity NPD6084 Phase 2
0.6875 Remote Similarity NPD6083 Phase 2
0.6864 Remote Similarity NPD6013 Approved
0.6864 Remote Similarity NPD6014 Approved
0.6864 Remote Similarity NPD6012 Approved
0.6857 Remote Similarity NPD4786 Approved
0.6852 Remote Similarity NPD6101 Approved
0.6852 Remote Similarity NPD5328 Approved
0.6852 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6827 Remote Similarity NPD3667 Approved
0.6822 Remote Similarity NPD3573 Approved
0.6818 Remote Similarity NPD8171 Discontinued
0.6814 Remote Similarity NPD4225 Approved
0.6789 Remote Similarity NPD46 Approved
0.6789 Remote Similarity NPD6698 Approved
0.678 Remote Similarity NPD6011 Approved
0.675 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6729 Remote Similarity NPD6684 Approved
0.6729 Remote Similarity NPD7334 Approved
0.6729 Remote Similarity NPD6409 Approved
0.6729 Remote Similarity NPD7521 Approved
0.6729 Remote Similarity NPD7146 Approved
0.6729 Remote Similarity NPD5330 Approved
0.6727 Remote Similarity NPD6079 Approved
0.6726 Remote Similarity NPD4755 Approved
0.6697 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6695 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6693 Remote Similarity NPD7604 Phase 2
0.6667 Remote Similarity NPD4202 Approved
0.6667 Remote Similarity NPD8074 Phase 3
0.6667 Remote Similarity NPD5983 Phase 2
0.6638 Remote Similarity NPD7632 Discontinued
0.6635 Remote Similarity NPD7525 Registered
0.6615 Remote Similarity NPD6033 Approved
0.661 Remote Similarity NPD6008 Approved
0.6609 Remote Similarity NPD5286 Approved
0.6609 Remote Similarity NPD4700 Approved
0.6609 Remote Similarity NPD5285 Approved
0.6609 Remote Similarity NPD4696 Approved
0.6606 Remote Similarity NPD6672 Approved
0.6606 Remote Similarity NPD6903 Approved
0.6606 Remote Similarity NPD5737 Approved
0.6589 Remote Similarity NPD6336 Discontinued
0.6577 Remote Similarity NPD7983 Approved
0.6549 Remote Similarity NPD5695 Phase 3
0.6542 Remote Similarity NPD3665 Phase 1
0.6542 Remote Similarity NPD3133 Approved
0.6542 Remote Similarity NPD3666 Approved
0.6535 Remote Similarity NPD6921 Approved
0.6532 Remote Similarity NPD6940 Discontinued
0.6532 Remote Similarity NPD6274 Approved
0.6529 Remote Similarity NPD4634 Approved
0.6522 Remote Similarity NPD5696 Approved
0.6518 Remote Similarity NPD5779 Approved
0.6518 Remote Similarity NPD5778 Approved
0.6508 Remote Similarity NPD7100 Approved
0.6508 Remote Similarity NPD7101 Approved
0.6505 Remote Similarity NPD6116 Phase 1
0.6496 Remote Similarity NPD5226 Approved
0.6496 Remote Similarity NPD5211 Phase 2
0.6496 Remote Similarity NPD5225 Approved
0.6496 Remote Similarity NPD5224 Approved
0.6496 Remote Similarity NPD4633 Approved
0.6491 Remote Similarity NPD4697 Phase 3
0.6491 Remote Similarity NPD5222 Approved
0.6491 Remote Similarity NPD5221 Approved
0.6491 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4767 Approved
0.6471 Remote Similarity NPD4768 Approved
0.6449 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6449 Remote Similarity NPD3669 Approved
0.6442 Remote Similarity NPD6697 Approved
0.6442 Remote Similarity NPD6114 Approved
0.6442 Remote Similarity NPD6118 Approved
0.6442 Remote Similarity NPD6115 Approved
0.6441 Remote Similarity NPD5174 Approved
0.6441 Remote Similarity NPD5175 Approved
0.6435 Remote Similarity NPD5173 Approved
0.6429 Remote Similarity NPD6335 Approved
0.6418 Remote Similarity NPD8449 Approved
0.641 Remote Similarity NPD5223 Approved
0.6408 Remote Similarity NPD6117 Approved
0.6406 Remote Similarity NPD6909 Approved
0.6406 Remote Similarity NPD6908 Approved
0.6404 Remote Similarity NPD6356 Clinical (unspecified phase)
0.64 Remote Similarity NPD6868 Approved
0.6396 Remote Similarity NPD4753 Phase 2
0.6389 Remote Similarity NPD3668 Phase 3
0.6387 Remote Similarity NPD5141 Approved
0.6379 Remote Similarity NPD8029 Clinical (unspecified phase)
0.637 Remote Similarity NPD8450 Suspended
0.6364 Remote Similarity NPD4729 Approved
0.6364 Remote Similarity NPD4730 Approved
0.6349 Remote Similarity NPD6317 Approved
0.6348 Remote Similarity NPD7732 Phase 3
0.6348 Remote Similarity NPD7614 Phase 1
0.6303 Remote Similarity NPD4754 Approved
0.6299 Remote Similarity NPD6314 Approved
0.6299 Remote Similarity NPD6313 Approved
0.6294 Remote Similarity NPD7625 Phase 1
0.6273 Remote Similarity NPD6098 Approved
0.6271 Remote Similarity NPD5344 Discontinued
0.6262 Remote Similarity NPD1780 Approved
0.6262 Remote Similarity NPD1779 Approved
0.626 Remote Similarity NPD5251 Approved
0.626 Remote Similarity NPD5247 Approved
0.626 Remote Similarity NPD5248 Approved
0.626 Remote Similarity NPD5250 Approved
0.626 Remote Similarity NPD5249 Phase 3
0.625 Remote Similarity NPD6673 Approved
0.625 Remote Similarity NPD6904 Approved
0.625 Remote Similarity NPD6080 Approved
0.6241 Remote Similarity NPD8336 Approved
0.6241 Remote Similarity NPD8337 Approved
0.623 Remote Similarity NPD5128 Approved
0.622 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6214 Remote Similarity NPD6113 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   441928
ChEMBL   CHEMBL452911
ZINC  

Physicochemical Properties

Molecular Weight:  604.40
ALogP:  -0.1971
MLogP:  4.43
XLogP:  7.055
# Rotatable Bonds:  15
Polar Surface Area:  136.68
# H-Bond Aceptor:  8
# H-Bond Donor:  5
# Rings:  6
# Heavy Atoms:  43

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs