Natural Product: NPC185529

Natural Product ID:  NPC185529
Common Name:   Oleanderolide
IUPAC Name:  
Synonyms:   oleanderolide
Molecular Formula:   C30H48O4
Standard InCHIKey:  CXELEGXSGVFEND-NVTHVPAHSA-N
Standard InCHI:  InChI=1S/C30H48O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-18-25(3,4)21(31)9-10-26(18,5)19(27)16-22(32)30(28,20(29)17-24)34-23(29)33/h18-22,31-32H,8-17H2,1-7H3/t18-,19+,20+,21-,22-,26-,27+,28-,29-,30+/m0/s1
Canonical SMILES:  O[C@H]1C[C@@H]2[C@@]3(C)CC[C@@H](C([C@@H]3CC[C@]2([C@]2([C@@]31OC(=O)[C@]1([C@H]3CC(C)(C)CC1)CC2)C)C)(C)C)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
NPO10021 Nerium oleander Species Apocynaceae Eukaryota Leaves Niigata City, Niigata Province, Japan 2000-NOV PMID[15730243]
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO3664 Mesembryanthemum anatomicum Species Aizoaceae Eukaryota UNPD*
NPO13325 Plantago lanceolata Species Plantaginaceae Eukaryota UNPD*
NPO3146 Ammodendron conollyi Species Fabaceae Eukaryota UNPD*
NPO3936 Malva sylvestris Species Malvaceae Eukaryota UNPD*
NPO2342 Cytisus scoparius Species Fabaceae Eukaryota UNPD*
NPO10021 Nerium oleander Species Apocynaceae Eukaryota TCMID*
NPO6377 Cocculus diversifolius Species Menispermaceae Eukaryota UNPD*
NPO15583 Tripodanthus acutifolius Species Loranthaceae Eukaryota UNPD*
NPO8840 Ptilidium ciliare Species Ptilidiaceae Eukaryota UNPD*
NPO2518 Crinum kirkii Species Amaryllidaceae Eukaryota UNPD*
NPO715 Teucrium pestalozzae Species Lamiaceae Eukaryota UNPD*
NPO20132 Scutellaria seleriana Species Lamiaceae Eukaryota UNPD*
NPO10021 Nerium oleander Species Apocynaceae Eukaryota UNPD*
NPO2747 Hypericum triquetrifolium Species Hypericaceae Eukaryota UNPD*
NPO8585 Verpa digitaliformis Species Morchellaceae Eukaryota UNPD*
NPO2361 Aconitum brevicalcaratum Species Ranunculaceae Eukaryota UNPD*
NPO1607 Croton rhamnifolius Species Euphorbiaceae Eukaryota UNPD*
NPO1071 Parerythropodium fulvum NA NA NA UNPD*
NPO6974 Solanum racemigerum Species Solanaceae Eukaryota UNPD*
NPO1308 Veronica pectinata Species Plantaginaceae Eukaryota UNPD*
NPO6520 Myrica multiflora Species Myricaceae Eukaryota UNPD*
NPO4082 Ophiarthrum elegans Species Ophiocomidae Eukaryota UNPD*
NPO6776 Trifolium apertum Species Fabaceae Eukaryota UNPD*
NPO5591 Fucus spiralis Species Fucaceae Eukaryota UNPD*
NPO5197 Streptomyces eurythermus Species Streptomycetaceae Bacteria UNPD*
NPO4253 Viguiera annua Species Asteraceae Eukaryota UNPD*
NPO5980 Eria subsessilis Species Orchidaceae Eukaryota UNPD*
NPO351 Cirsium dipsacolepis Species Asteraceae Eukaryota UNPD*
NPO7097 Rhynchosporium orthosporum Species NA Eukaryota UNPD*
NPO8472 Knightia deplanchei Species Proteaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1475 Cell Line WI-38 VA13 Homo sapiens IC50 > 212000 nM 15730243
NPT2 Others Unspecified IC50 > 212000 nM 15730243
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition = 6.78 % 20964318
NPT1044 Individual Protein DNA topoisomerase II alpha Homo sapiens FC = 0.97 24326278
NPT143 Individual Protein DNA topoisomerase I Homo sapiens FC = 0.77 24326278
NPT179 Cell Line A2780 Homo sapiens Activity = 71.74 % 24361521
NPT179 Cell Line A2780 Homo sapiens Activity = 12.47 % 24361521
NPT179 Cell Line A2780 Homo sapiens Activity = 14.23 % 24361521
NPT179 Cell Line A2780 Homo sapiens Activity = 1.56 % 24361521
NPT2 Others Unspecified IC50 > 30000 nM 24361521
NPT179 Cell Line A2780 Homo sapiens Activity = 48.17 % 24361521
NPT179 Cell Line A2780 Homo sapiens Activity = 1.975 % 24361521
NPT179 Cell Line A2780 Homo sapiens Activity = 48.32 % 24361521
NPT886 Cell Line NIH3T3 Mus musculus IC50 > 30000 nM 24361521
NPT83 Cell Line MCF7 Homo sapiens IC50 > 30000 nM 24361521
NPT139 Cell Line HT-29 Homo sapiens IC50 > 30000 nM 24361521
NPT81 Cell Line A549 Homo sapiens IC50 > 30000 nM 24361521
NPT179 Cell Line A2780 Homo sapiens IC50 > 30000 nM 24361521
NPT1215 Cell Line 8505C Homo sapiens IC50 > 30000 nM 24361521

  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 NPC185529 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 NPC472146
0.9326 High Similarity NPC82633
0.9222 High Similarity NPC163685
0.9222 High Similarity NPC235109
0.9091 High Similarity NPC50443
0.9091 High Similarity NPC18536
0.9022 High Similarity NPC472144
0.8929 High Similarity NPC476071
0.8929 High Similarity NPC280781
0.8929 High Similarity NPC48756
0.8913 High Similarity NPC472145
0.8889 High Similarity NPC472148
0.8889 High Similarity NPC472147
0.8736 High Similarity NPC62572
0.8652 High Similarity NPC476435
0.8621 High Similarity NPC473299
0.8556 High Similarity NPC471459
0.8556 High Similarity NPC67653
0.8539 High Similarity NPC470920
0.8506 High Similarity NPC269684
0.8471 Intermediate Similarity NPC73013
0.8427 Intermediate Similarity NPC80700
0.8409 Intermediate Similarity NPC237938
0.8409 Intermediate Similarity NPC219535
0.8404 Intermediate Similarity NPC475785
0.84 Intermediate Similarity NPC154906
0.8353 Intermediate Similarity NPC243594
0.8353 Intermediate Similarity NPC472608
0.8353 Intermediate Similarity NPC31031
0.8315 Intermediate Similarity NPC131350
0.8276 Intermediate Similarity NPC50658
0.8276 Intermediate Similarity NPC271572
0.8276 Intermediate Similarity NPC474870
0.8265 Intermediate Similarity NPC225238
0.8261 Intermediate Similarity NPC470114
0.8242 Intermediate Similarity NPC131104
0.8242 Intermediate Similarity NPC473319
0.8242 Intermediate Similarity NPC3032
0.8242 Intermediate Similarity NPC476379
0.8235 Intermediate Similarity NPC112463
0.8222 Intermediate Similarity NPC472272
0.8222 Intermediate Similarity NPC83242
0.8211 Intermediate Similarity NPC475765
0.8211 Intermediate Similarity NPC256227
0.8202 Intermediate Similarity NPC34984
0.8202 Intermediate Similarity NPC25037
0.8202 Intermediate Similarity NPC105895
0.8202 Intermediate Similarity NPC477434
0.82 Intermediate Similarity NPC126753
0.8191 Intermediate Similarity NPC247877
0.8191 Intermediate Similarity NPC309127
0.8182 Intermediate Similarity NPC121121
0.8182 Intermediate Similarity NPC289486
0.8182 Intermediate Similarity NPC61107
0.8137 Intermediate Similarity NPC470622
0.8132 Intermediate Similarity NPC239938
0.8125 Intermediate Similarity NPC470425
0.8125 Intermediate Similarity NPC471241
0.8068 Intermediate Similarity NPC58631
0.8065 Intermediate Similarity NPC475211
0.8065 Intermediate Similarity NPC88337
0.8046 Intermediate Similarity NPC201276
0.8046 Intermediate Similarity NPC80891
0.8043 Intermediate Similarity NPC471221
0.8022 Intermediate Similarity NPC248216
0.8021 Intermediate Similarity NPC116683
0.8 Intermediate Similarity NPC470424
0.8 Intermediate Similarity NPC291310
0.8 Intermediate Similarity NPC100078
0.7981 Intermediate Similarity NPC157571
0.798 Intermediate Similarity NPC80640
0.7979 Intermediate Similarity NPC475878
0.7978 Intermediate Similarity NPC268040
0.7978 Intermediate Similarity NPC242771
0.7978 Intermediate Similarity NPC100366
0.7978 Intermediate Similarity NPC311642
0.7978 Intermediate Similarity NPC164289
0.7961 Intermediate Similarity NPC471431
0.7959 Intermediate Similarity NPC80417
0.7957 Intermediate Similarity NPC56962
0.7957 Intermediate Similarity NPC24705
0.7955 Intermediate Similarity NPC125366
0.7955 Intermediate Similarity NPC261616
0.7941 Intermediate Similarity NPC207693
0.7938 Intermediate Similarity NPC472273
0.7931 Intermediate Similarity NPC224802
0.7931 Intermediate Similarity NPC171426
0.7931 Intermediate Similarity NPC324700
0.7931 Intermediate Similarity NPC34046
0.7931 Intermediate Similarity NPC26029
0.7931 Intermediate Similarity NPC80089
0.7921 Intermediate Similarity NPC166079
0.7921 Intermediate Similarity NPC158367
0.7921 Intermediate Similarity NPC158051
0.7921 Intermediate Similarity NPC119628
0.7912 Intermediate Similarity NPC476715
0.7912 Intermediate Similarity NPC477445
0.7907 Intermediate Similarity NPC108840
0.7889 Intermediate Similarity NPC111582
0.7889 Intermediate Similarity NPC15091
0.7889 Intermediate Similarity NPC477285
0.7882 Intermediate Similarity NPC159325
0.7882 Intermediate Similarity NPC55508
0.7882 Intermediate Similarity NPC168511
0.7872 Intermediate Similarity NPC77756
0.7865 Intermediate Similarity NPC190940
0.7865 Intermediate Similarity NPC12933
0.7864 Intermediate Similarity NPC22709
0.7864 Intermediate Similarity NPC87393
0.7849 Intermediate Similarity NPC236459
0.7843 Intermediate Similarity NPC203974
0.7843 Intermediate Similarity NPC138219
0.7843 Intermediate Similarity NPC475630
0.7843 Intermediate Similarity NPC40716
0.7843 Intermediate Similarity NPC475234
0.7841 Intermediate Similarity NPC220379
0.7841 Intermediate Similarity NPC320144
0.783 Intermediate Similarity NPC477465
0.7826 Intermediate Similarity NPC92139
0.7822 Intermediate Similarity NPC267637
0.7822 Intermediate Similarity NPC327093
0.7816 Intermediate Similarity NPC298168
0.7816 Intermediate Similarity NPC307865
0.7816 Intermediate Similarity NPC143133
0.7812 Intermediate Similarity NPC470423
0.7802 Intermediate Similarity NPC471044
0.7802 Intermediate Similarity NPC9060
0.7802 Intermediate Similarity NPC473336
0.7802 Intermediate Similarity NPC181871
0.78 Intermediate Similarity NPC471254
0.78 Intermediate Similarity NPC244969
0.78 Intermediate Similarity NPC213528
0.78 Intermediate Similarity NPC470172
0.7788 Intermediate Similarity NPC66513
0.7778 Intermediate Similarity NPC102156
0.7778 Intermediate Similarity NPC477655
0.7778 Intermediate Similarity NPC30583
0.7778 Intermediate Similarity NPC477446
0.7778 Intermediate Similarity NPC148740
0.7778 Intermediate Similarity NPC60018
0.7778 Intermediate Similarity NPC154043
0.7778 Intermediate Similarity NPC202688
0.7778 Intermediate Similarity NPC477447
0.7778 Intermediate Similarity NPC477286
0.7778 Intermediate Similarity NPC470155
0.7778 Intermediate Similarity NPC286719
0.7767 Intermediate Similarity NPC471626
0.7767 Intermediate Similarity NPC262567
0.7767 Intermediate Similarity NPC469826
0.7767 Intermediate Similarity NPC231566
0.7767 Intermediate Similarity NPC473688
0.7766 Intermediate Similarity NPC477443
0.7766 Intermediate Similarity NPC61688
0.7766 Intermediate Similarity NPC477440
0.7765 Intermediate Similarity NPC68426
0.7765 Intermediate Similarity NPC282905
0.7765 Intermediate Similarity NPC81759
0.7765 Intermediate Similarity NPC477229
0.7755 Intermediate Similarity NPC470632
0.7753 Intermediate Similarity NPC477851
0.7753 Intermediate Similarity NPC472943
0.7753 Intermediate Similarity NPC134227
0.7753 Intermediate Similarity NPC472951
0.7745 Intermediate Similarity NPC306776
0.7745 Intermediate Similarity NPC273189
0.7745 Intermediate Similarity NPC184805
0.7742 Intermediate Similarity NPC263802
0.7736 Intermediate Similarity NPC97002
0.7727 Intermediate Similarity NPC185465
0.7723 Intermediate Similarity NPC471253
0.7723 Intermediate Similarity NPC209298
0.7723 Intermediate Similarity NPC473406
0.7723 Intermediate Similarity NPC277074
0.7717 Intermediate Similarity NPC474572
0.7714 Intermediate Similarity NPC469824
0.7708 Intermediate Similarity NPC224060
0.7708 Intermediate Similarity NPC474379
0.7708 Intermediate Similarity NPC291373
0.7708 Intermediate Similarity NPC244356
0.7708 Intermediate Similarity NPC476189
0.7701 Intermediate Similarity NPC4209
0.7701 Intermediate Similarity NPC474020
0.7701 Intermediate Similarity NPC471046
0.77 Intermediate Similarity NPC233012
0.77 Intermediate Similarity NPC252614
0.77 Intermediate Similarity NPC54909
0.7692 Intermediate Similarity NPC228190
0.7692 Intermediate Similarity NPC236753
0.7692 Intermediate Similarity NPC227170
0.7692 Intermediate Similarity NPC310546
0.7692 Intermediate Similarity NPC268578
0.7692 Intermediate Similarity NPC217559
0.7692 Intermediate Similarity NPC292458
0.7684 Intermediate Similarity NPC477444
0.7684 Intermediate Similarity NPC477442
0.7684 Intermediate Similarity NPC477433
0.767 Intermediate Similarity NPC471430
0.7667 Intermediate Similarity NPC475743
0.7667 Intermediate Similarity NPC73515
0.7667 Intermediate Similarity NPC470156

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC185529 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
0.7931 Intermediate Similarity NPD6697 Approved
0.7931 Intermediate Similarity NPD6118 Approved
0.7931 Intermediate Similarity NPD6115 Approved
0.7931 Intermediate Similarity NPD6114 Approved
0.7701 Intermediate Similarity NPD6117 Approved
0.7614 Intermediate Similarity NPD6116 Phase 1
0.7586 Intermediate Similarity NPD3703 Phase 2
0.7471 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD8035 Phase 2
0.7245 Intermediate Similarity NPD8034 Phase 2
0.7158 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3702 Approved
0.6931 Remote Similarity NPD7748 Approved
0.69 Remote Similarity NPD7515 Phase 2
0.6893 Remote Similarity NPD7902 Approved
0.6857 Remote Similarity NPD1700 Approved
0.6854 Remote Similarity NPD5777 Approved
0.6818 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6786 Remote Similarity NPD8133 Approved
0.6742 Remote Similarity NPD4244 Approved
0.6742 Remote Similarity NPD4245 Approved
0.6727 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6705 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6705 Remote Similarity NPD5360 Phase 3
0.6695 Remote Similarity NPD8328 Phase 3
0.6667 Remote Similarity NPD6081 Approved
0.6667 Remote Similarity NPD4224 Phase 2
0.6629 Remote Similarity NPD3698 Phase 2
0.6602 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6602 Remote Similarity NPD7900 Approved
0.6562 Remote Similarity NPD1780 Approved
0.6562 Remote Similarity NPD1779 Approved
0.6556 Remote Similarity NPD4789 Approved
0.6525 Remote Similarity NPD6921 Approved
0.6518 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6509 Remote Similarity NPD7638 Approved
0.6505 Remote Similarity NPD8171 Discontinued
0.6491 Remote Similarity NPD4632 Approved
0.6458 Remote Similarity NPD6928 Phase 2
0.6455 Remote Similarity NPD6675 Approved
0.6455 Remote Similarity NPD6402 Approved
0.6455 Remote Similarity NPD5739 Approved
0.6455 Remote Similarity NPD7128 Approved
0.6449 Remote Similarity NPD7639 Approved
0.6449 Remote Similarity NPD7640 Approved
0.6449 Remote Similarity NPD8418 Phase 2
0.6446 Remote Similarity NPD7507 Approved
0.6429 Remote Similarity NPD3669 Approved
0.6429 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6372 Approved
0.6429 Remote Similarity NPD6373 Approved
0.6421 Remote Similarity NPD3671 Phase 1
0.6404 Remote Similarity NPD8297 Approved
0.6379 Remote Similarity NPD6940 Discontinued
0.6364 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6346 Remote Similarity NPD6399 Phase 3
0.6341 Remote Similarity NPD7736 Approved
0.6339 Remote Similarity NPD6881 Approved
0.6339 Remote Similarity NPD6899 Approved
0.6339 Remote Similarity NPD7320 Approved
0.633 Remote Similarity NPD7632 Discontinued
0.6325 Remote Similarity NPD7115 Discovery
0.6316 Remote Similarity NPD6649 Approved
0.6316 Remote Similarity NPD6650 Approved
0.6306 Remote Similarity NPD6008 Approved
0.6304 Remote Similarity NPD4758 Discontinued
0.6303 Remote Similarity NPD6319 Approved
0.629 Remote Similarity NPD7319 Approved
0.625 Remote Similarity NPD371 Approved
0.625 Remote Similarity NPD5697 Approved
0.625 Remote Similarity NPD5701 Approved
0.625 Remote Similarity NPD7909 Approved
0.625 Remote Similarity NPD5364 Discontinued
0.625 Remote Similarity NPD5954 Clinical (unspecified phase)
0.623 Remote Similarity NPD7492 Approved
0.6228 Remote Similarity NPD7102 Approved
0.6228 Remote Similarity NPD7290 Approved
0.6228 Remote Similarity NPD6883 Approved
0.6214 Remote Similarity NPD5328 Approved
0.6204 Remote Similarity NPD4225 Approved
0.6195 Remote Similarity NPD6011 Approved
0.6186 Remote Similarity NPD6009 Approved
0.6179 Remote Similarity NPD6616 Approved
0.6174 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6174 Remote Similarity NPD8130 Phase 1
0.6174 Remote Similarity NPD6869 Approved
0.6174 Remote Similarity NPD6847 Approved
0.6174 Remote Similarity NPD6617 Approved
0.6167 Remote Similarity NPD6059 Approved
0.6167 Remote Similarity NPD6054 Approved
0.6148 Remote Similarity NPD7604 Phase 2
0.614 Remote Similarity NPD6014 Approved
0.614 Remote Similarity NPD6013 Approved
0.614 Remote Similarity NPD6012 Approved
0.6129 Remote Similarity NPD7078 Approved
0.6129 Remote Similarity NPD8293 Discontinued
0.6121 Remote Similarity NPD6882 Approved
0.6116 Remote Similarity NPD5983 Phase 2
0.6106 Remote Similarity NPD6412 Phase 2
0.6095 Remote Similarity NPD6079 Approved
0.6078 Remote Similarity NPD3618 Phase 1
0.6066 Remote Similarity NPD6370 Approved
0.6053 Remote Similarity NPD6686 Approved
0.6048 Remote Similarity NPD6336 Discontinued
0.6022 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6022 Remote Similarity NPD4787 Phase 1
0.602 Remote Similarity NPD7645 Phase 2
0.6019 Remote Similarity NPD3573 Approved
0.6019 Remote Similarity NPD4697 Phase 3
0.5984 Remote Similarity NPD8516 Approved
0.5984 Remote Similarity NPD6015 Approved
0.5984 Remote Similarity NPD8517 Approved
0.5984 Remote Similarity NPD8515 Approved
0.5984 Remote Similarity NPD6016 Approved
0.5984 Remote Similarity NPD8513 Phase 3
0.5963 Remote Similarity NPD6083 Phase 2
0.5963 Remote Similarity NPD6084 Phase 2
0.5963 Remote Similarity NPD4755 Approved
0.5962 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5952 Remote Similarity NPD3729 Clinical (unspecified phase)
0.595 Remote Similarity NPD7516 Approved
0.5948 Remote Similarity NPD4634 Approved
0.5943 Remote Similarity NPD6411 Approved
0.5941 Remote Similarity NPD4788 Approved
0.5935 Remote Similarity NPD5988 Approved
0.5926 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5918 Remote Similarity NPD4802 Phase 2
0.5918 Remote Similarity NPD4238 Approved
0.5902 Remote Similarity NPD8377 Approved
0.5902 Remote Similarity NPD8294 Approved
0.5882 Remote Similarity NPD4786 Approved
0.5877 Remote Similarity NPD6920 Discontinued
0.5872 Remote Similarity NPD5221 Approved
0.5872 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5872 Remote Similarity NPD5222 Approved
0.5868 Remote Similarity NPD7327 Approved
0.5868 Remote Similarity NPD7328 Approved
0.5868 Remote Similarity NPD6335 Approved
0.5856 Remote Similarity NPD5285 Approved
0.5856 Remote Similarity NPD4696 Approved
0.5856 Remote Similarity NPD5286 Approved
0.5856 Remote Similarity NPD4700 Approved
0.5854 Remote Similarity NPD8380 Approved
0.5854 Remote Similarity NPD8378 Approved
0.5854 Remote Similarity NPD8379 Approved
0.5854 Remote Similarity NPD8033 Approved
0.5854 Remote Similarity NPD8296 Approved
0.5854 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5854 Remote Similarity NPD8335 Approved
0.5842 Remote Similarity NPD3667 Approved
0.5833 Remote Similarity NPD6868 Approved
0.5833 Remote Similarity NPD6274 Approved
0.5833 Remote Similarity NPD1811 Approved
0.5833 Remote Similarity NPD1810 Approved
0.5827 Remote Similarity NPD6033 Approved
0.582 Remote Similarity NPD7100 Approved
0.582 Remote Similarity NPD7101 Approved
0.5818 Remote Similarity NPD5173 Approved
0.5806 Remote Similarity NPD229 Approved
0.5804 Remote Similarity NPD5223 Approved
0.58 Remote Similarity NPD7525 Registered
0.5798 Remote Similarity NPD8298 Phase 2
0.5795 Remote Similarity NPD3198 Approved
0.5789 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5789 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5785 Remote Similarity NPD6317 Approved
0.5769 Remote Similarity NPD7521 Approved
0.5769 Remote Similarity NPD7334 Approved
0.5769 Remote Similarity NPD6409 Approved
0.5769 Remote Similarity NPD5330 Approved
0.5769 Remote Similarity NPD6684 Approved
0.5769 Remote Similarity NPD7146 Approved
0.5766 Remote Similarity NPD5696 Approved
0.5765 Remote Similarity NPD3730 Approved
0.5765 Remote Similarity NPD3728 Approved
0.5755 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5755 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5755 Remote Similarity NPD6101 Approved
0.5752 Remote Similarity NPD5226 Approved
0.5752 Remote Similarity NPD5211 Phase 2
0.5752 Remote Similarity NPD4633 Approved
0.5752 Remote Similarity NPD5224 Approved
0.5752 Remote Similarity NPD5225 Approved
0.5741 Remote Similarity NPD5779 Approved
0.5741 Remote Similarity NPD4202 Approved
0.5741 Remote Similarity NPD5778 Approved
0.5738 Remote Similarity NPD6314 Approved
0.5738 Remote Similarity NPD6313 Approved
0.5726 Remote Similarity NPD6909 Approved
0.5726 Remote Similarity NPD6908 Approved
0.5702 Remote Similarity NPD5174 Approved
0.5702 Remote Similarity NPD5175 Approved

Structure

External Identifiers

PubChem CID   11113483
ChEMBL   CHEMBL498230
ZINC  

Physicochemical Properties

Molecular Weight:  472.36
ALogP:  1.5005
MLogP:  4.32
XLogP:  7.302
# Rotatable Bonds:  9
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  34

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Biological Activities  
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