Natural Product: NPC324078

Natural Product ID:  NPC324078
Common Name:   Sodium(E)-((1R,4As,4Bs,8As,10As)-1-(2-((S)-2-Hydroxy-5-Oxo-2,5-Dihydrofuran-3-Yl)Ethyl)-4B,8,8,10A-Tetramethyldecahydrophenanthren-2(1H,3H,4Bh)-Ylidene)Methyl Sulfate
IUPAC Name:   sodium;[(E)-[(1R,4aR,4bS,8aS,10aS)-1-[2-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ylidene]methyl] sulfate
Synonyms:  
Molecular Formula:   C25H38O7S.Na
Standard InCHIKey:  MSWLPMNAMZJYJW-CGSXWFLESA-M
Standard InCHI:  InChI=1S/C25H38O7S.Na/c1-23(2)11-5-12-25(4)19(23)10-13-24(3)18(8-6-16-14-21(26)32-22(16)27)17(7-9-20(24)25)15-31-33(28,29)30;/h14-15,18-20,22,27H,5-13H2,1-4H3,(H,28,29,30);/q;+1/p-1/b17-15+;/t18-,19-,20-,22-,24+,25-;/m0./s1
Canonical SMILES:  O=C1C=C([C@H](O1)O)CC[C@H]1/C(=C/OS(=O)(=O)[O-])/CC[C@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CCCC1(C)C.[Na+]
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
NPO30318 Coscinoderma Genus Spongiidae Eukaryota PMID[21827183]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens LC50 = 59000 nM 21827183
NPT1821 Individual Protein Sortase Staphylococcus aureus IC50 > 200000 nM 21827183
NPT1087 Individual Protein Isocitrate lyase Candida albicans IC50 = 56000 nM 21827183
NPT2890 Protein Complex Sodium/potassium-transporting ATPase Homo sapiens IC50 = 5000 nM 21827183
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 100 ug/ml 21827183
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 100 ug/ml 21827183
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC > 100 ug/ml 21827183
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC > 100 ug/ml 21827183
NPT766 Organism Proteus vulgaris Proteus vulgaris MIC > 100 ug/ml 21827183
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 21827183
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC > 100 ug/ml 21827183
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC > 100 ug/ml 21827183
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC > 100 ug/ml 21827183
NPT20 Organism Candida albicans Candida albicans MIC > 100 ug/ml 21827183

  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 NPC324078 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
0.9326 High Similarity NPC477122
0.8966 High Similarity NPC318515
0.8913 High Similarity NPC469697
0.8864 High Similarity NPC473251
0.8864 High Similarity NPC42586
0.883 High Similarity NPC477719
0.883 High Similarity NPC477718
0.8778 High Similarity NPC472810
0.8778 High Similarity NPC472809
0.8723 High Similarity NPC162346
0.8723 High Similarity NPC319692
0.8723 High Similarity NPC325960
0.871 High Similarity NPC104925
0.871 High Similarity NPC298973
0.8696 High Similarity NPC329842
0.8681 High Similarity NPC470734
0.8646 High Similarity NPC477721
0.8646 High Similarity NPC477720
0.8646 High Similarity NPC477716
0.8636 High Similarity NPC324243
0.8587 High Similarity NPC477782
0.8571 High Similarity NPC474629
0.8557 High Similarity NPC477717
0.8495 Intermediate Similarity NPC477783
0.8495 Intermediate Similarity NPC472811
0.8427 Intermediate Similarity NPC472440
0.8427 Intermediate Similarity NPC477124
0.8421 Intermediate Similarity NPC472441
0.8404 Intermediate Similarity NPC472812
0.8333 Intermediate Similarity NPC471302
0.8316 Intermediate Similarity NPC470255
0.828 Intermediate Similarity NPC251528
0.8265 Intermediate Similarity NPC324841
0.8242 Intermediate Similarity NPC472442
0.8242 Intermediate Similarity NPC329630
0.8222 Intermediate Similarity NPC311070
0.8211 Intermediate Similarity NPC472303
0.8191 Intermediate Similarity NPC78973
0.8182 Intermediate Similarity NPC63249
0.8132 Intermediate Similarity NPC471301
0.8125 Intermediate Similarity NPC477722
0.8111 Intermediate Similarity NPC471298
0.8105 Intermediate Similarity NPC289479
0.81 Intermediate Similarity NPC134077
0.8085 Intermediate Similarity NPC174342
0.8081 Intermediate Similarity NPC472826
0.8081 Intermediate Similarity NPC476767
0.8061 Intermediate Similarity NPC475709
0.8043 Intermediate Similarity NPC474013
0.8043 Intermediate Similarity NPC30984
0.8022 Intermediate Similarity NPC471297
0.8022 Intermediate Similarity NPC42476
0.8 Intermediate Similarity NPC471075
0.798 Intermediate Similarity NPC325229
0.798 Intermediate Similarity NPC275086
0.7959 Intermediate Similarity NPC470801
0.7957 Intermediate Similarity NPC131813
0.7957 Intermediate Similarity NPC173917
0.7957 Intermediate Similarity NPC474062
0.7955 Intermediate Similarity NPC473756
0.7935 Intermediate Similarity NPC470800
0.7921 Intermediate Similarity NPC472815
0.79 Intermediate Similarity NPC477968
0.79 Intermediate Similarity NPC219285
0.79 Intermediate Similarity NPC20113
0.79 Intermediate Similarity NPC228251
0.79 Intermediate Similarity NPC161527
0.79 Intermediate Similarity NPC477971
0.79 Intermediate Similarity NPC477972
0.7885 Intermediate Similarity NPC476765
0.7879 Intermediate Similarity NPC51499
0.7849 Intermediate Similarity NPC65661
0.7849 Intermediate Similarity NPC86316
0.7849 Intermediate Similarity NPC106416
0.7843 Intermediate Similarity NPC45897
0.7843 Intermediate Similarity NPC281378
0.7835 Intermediate Similarity NPC246860
0.7835 Intermediate Similarity NPC53555
0.7826 Intermediate Similarity NPC476927
0.7812 Intermediate Similarity NPC281942
0.7812 Intermediate Similarity NPC232426
0.781 Intermediate Similarity NPC476759
0.78 Intermediate Similarity NPC473154
0.78 Intermediate Similarity NPC474440
0.7789 Intermediate Similarity NPC472378
0.7788 Intermediate Similarity NPC471205
0.7788 Intermediate Similarity NPC475074
0.7778 Intermediate Similarity NPC242767
0.7767 Intermediate Similarity NPC472819
0.7766 Intermediate Similarity NPC118266
0.7755 Intermediate Similarity NPC474554
0.7755 Intermediate Similarity NPC105490
0.7745 Intermediate Similarity NPC476769
0.7742 Intermediate Similarity NPC126518
0.7736 Intermediate Similarity NPC476766
0.7732 Intermediate Similarity NPC120539
0.7732 Intermediate Similarity NPC179517
0.7732 Intermediate Similarity NPC165904
0.7732 Intermediate Similarity NPC141831
0.7723 Intermediate Similarity NPC251680
0.7717 Intermediate Similarity NPC2524
0.7717 Intermediate Similarity NPC324170
0.7717 Intermediate Similarity NPC323251
0.7714 Intermediate Similarity NPC38948
0.7708 Intermediate Similarity NPC5509
0.7708 Intermediate Similarity NPC293044
0.77 Intermediate Similarity NPC257726
0.77 Intermediate Similarity NPC231751
0.77 Intermediate Similarity NPC98112
0.77 Intermediate Similarity NPC204054
0.7692 Intermediate Similarity NPC10636
0.7692 Intermediate Similarity NPC472818
0.7684 Intermediate Similarity NPC166857
0.7677 Intermediate Similarity NPC276110
0.767 Intermediate Similarity NPC120009
0.766 Intermediate Similarity NPC217394
0.766 Intermediate Similarity NPC163606
0.766 Intermediate Similarity NPC471795
0.7653 Intermediate Similarity NPC166346
0.7653 Intermediate Similarity NPC7349
0.7653 Intermediate Similarity NPC470656
0.7647 Intermediate Similarity NPC268829
0.7647 Intermediate Similarity NPC295110
0.7647 Intermediate Similarity NPC247701
0.7647 Intermediate Similarity NPC222875
0.7647 Intermediate Similarity NPC25177
0.7642 Intermediate Similarity NPC206618
0.7629 Intermediate Similarity NPC51486
0.7629 Intermediate Similarity NPC469403
0.7629 Intermediate Similarity NPC280149
0.7629 Intermediate Similarity NPC182136
0.7629 Intermediate Similarity NPC253186
0.7629 Intermediate Similarity NPC221111
0.7624 Intermediate Similarity NPC181147
0.7624 Intermediate Similarity NPC218107
0.7624 Intermediate Similarity NPC278673
0.7619 Intermediate Similarity NPC472820
0.7609 Intermediate Similarity NPC14203
0.7609 Intermediate Similarity NPC40228
0.7609 Intermediate Similarity NPC170303
0.7609 Intermediate Similarity NPC229584
0.76 Intermediate Similarity NPC16967
0.76 Intermediate Similarity NPC17578
0.76 Intermediate Similarity NPC240673
0.7582 Intermediate Similarity NPC17550
0.7579 Intermediate Similarity NPC471219
0.7576 Intermediate Similarity NPC201725
0.7576 Intermediate Similarity NPC474555
0.7553 Intermediate Similarity NPC71626
0.7551 Intermediate Similarity NPC234335
0.7551 Intermediate Similarity NPC472814
0.7551 Intermediate Similarity NPC177037
0.7549 Intermediate Similarity NPC38855
0.7549 Intermediate Similarity NPC201406
0.7549 Intermediate Similarity NPC117685
0.7547 Intermediate Similarity NPC300614
0.7547 Intermediate Similarity NPC177524
0.7547 Intermediate Similarity NPC325054
0.7547 Intermediate Similarity NPC90946
0.7547 Intermediate Similarity NPC392
0.7547 Intermediate Similarity NPC219900
0.7527 Intermediate Similarity NPC471218
0.7527 Intermediate Similarity NPC200513
0.7527 Intermediate Similarity NPC256112
0.7526 Intermediate Similarity NPC50488
0.7526 Intermediate Similarity NPC474396
0.7525 Intermediate Similarity NPC476768
0.7525 Intermediate Similarity NPC97867
0.7525 Intermediate Similarity NPC476253
0.7525 Intermediate Similarity NPC76266
0.7525 Intermediate Similarity NPC208094
0.7524 Intermediate Similarity NPC218158
0.7524 Intermediate Similarity NPC51719
0.75 Intermediate Similarity NPC160583
0.75 Intermediate Similarity NPC135224
0.75 Intermediate Similarity NPC112009
0.75 Intermediate Similarity NPC471796
0.75 Intermediate Similarity NPC471208
0.75 Intermediate Similarity NPC477969
0.75 Intermediate Similarity NPC97487
0.75 Intermediate Similarity NPC281880
0.75 Intermediate Similarity NPC196471
0.75 Intermediate Similarity NPC293052
0.75 Intermediate Similarity NPC10232
0.75 Intermediate Similarity NPC187302
0.75 Intermediate Similarity NPC189588
0.75 Intermediate Similarity NPC312561
0.7477 Intermediate Similarity NPC31522
0.7477 Intermediate Similarity NPC475030
0.7476 Intermediate Similarity NPC11974
0.7475 Intermediate Similarity NPC267266
0.7475 Intermediate Similarity NPC472641
0.7475 Intermediate Similarity NPC476304
0.7475 Intermediate Similarity NPC139692
0.7475 Intermediate Similarity NPC115021
0.7475 Intermediate Similarity NPC162615
0.7475 Intermediate Similarity NPC205034
0.7475 Intermediate Similarity NPC38232
0.7475 Intermediate Similarity NPC277721
0.7475 Intermediate Similarity NPC151722

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC324078 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
0.7742 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.7723 Intermediate Similarity NPD7639 Approved
0.7723 Intermediate Similarity NPD7640 Approved
0.7624 Intermediate Similarity NPD7638 Approved
0.7547 Intermediate Similarity NPD6686 Approved
0.7527 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD7327 Approved
0.7257 Intermediate Similarity NPD7328 Approved
0.7193 Intermediate Similarity NPD7516 Approved
0.713 Intermediate Similarity NPD8294 Approved
0.713 Intermediate Similarity NPD8377 Approved
0.7115 Intermediate Similarity NPD4225 Approved
0.7075 Intermediate Similarity NPD7632 Discontinued
0.7069 Intermediate Similarity NPD8379 Approved
0.7069 Intermediate Similarity NPD8380 Approved
0.7069 Intermediate Similarity NPD8378 Approved
0.7069 Intermediate Similarity NPD8296 Approved
0.7069 Intermediate Similarity NPD8335 Approved
0.7069 Intermediate Similarity NPD8033 Approved
0.7 Intermediate Similarity NPD6051 Approved
0.6923 Remote Similarity NPD7503 Approved
0.6893 Remote Similarity NPD7748 Approved
0.6863 Remote Similarity NPD7515 Phase 2
0.6857 Remote Similarity NPD6083 Phase 2
0.6857 Remote Similarity NPD6084 Phase 2
0.6833 Remote Similarity NPD7507 Approved
0.6733 Remote Similarity NPD5737 Approved
0.6733 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6733 Remote Similarity NPD6672 Approved
0.67 Remote Similarity NPD7146 Approved
0.67 Remote Similarity NPD6409 Approved
0.67 Remote Similarity NPD7334 Approved
0.67 Remote Similarity NPD6684 Approved
0.67 Remote Similarity NPD7521 Approved
0.67 Remote Similarity NPD5330 Approved
0.6698 Remote Similarity NPD7902 Approved
0.6667 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD6412 Phase 2
0.6635 Remote Similarity NPD6399 Phase 3
0.6598 Remote Similarity NPD7525 Registered
0.6581 Remote Similarity NPD7115 Discovery
0.6569 Remote Similarity NPD6903 Approved
0.6538 Remote Similarity NPD7637 Suspended
0.6538 Remote Similarity NPD5693 Phase 1
0.6509 Remote Similarity NPD5695 Phase 3
0.6505 Remote Similarity NPD7285 Clinical (unspecified phase)
0.65 Remote Similarity NPD3666 Approved
0.65 Remote Similarity NPD3665 Phase 1
0.65 Remote Similarity NPD3133 Approved
0.6495 Remote Similarity NPD7645 Phase 2
0.6481 Remote Similarity NPD5696 Approved
0.6429 Remote Similarity NPD6675 Approved
0.6429 Remote Similarity NPD6402 Approved
0.6429 Remote Similarity NPD5739 Approved
0.6429 Remote Similarity NPD7128 Approved
0.6421 Remote Similarity NPD6942 Approved
0.6421 Remote Similarity NPD7339 Approved
0.6415 Remote Similarity NPD7900 Approved
0.6415 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6404 Remote Similarity NPD4061 Clinical (unspecified phase)
0.64 Remote Similarity NPD6695 Phase 3
0.6379 Remote Similarity NPD6882 Approved
0.6373 Remote Similarity NPD3618 Phase 1
0.6373 Remote Similarity NPD4519 Discontinued
0.6373 Remote Similarity NPD4623 Approved
0.6354 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6346 Remote Similarity NPD6904 Approved
0.6346 Remote Similarity NPD5328 Approved
0.6346 Remote Similarity NPD6080 Approved
0.6346 Remote Similarity NPD4753 Phase 2
0.6346 Remote Similarity NPD6673 Approved
0.6337 Remote Similarity NPD3668 Phase 3
0.6337 Remote Similarity NPD4786 Approved
0.6337 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6327 Remote Similarity NPD4195 Approved
0.6325 Remote Similarity NPD8133 Approved
0.6316 Remote Similarity NPD6881 Approved
0.6316 Remote Similarity NPD7320 Approved
0.6316 Remote Similarity NPD6899 Approved
0.63 Remote Similarity NPD3667 Approved
0.6293 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6286 Remote Similarity NPD5785 Approved
0.6275 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6275 Remote Similarity NPD1694 Approved
0.6263 Remote Similarity NPD4695 Discontinued
0.6261 Remote Similarity NPD6372 Approved
0.6261 Remote Similarity NPD6373 Approved
0.6239 Remote Similarity NPD6053 Discontinued
0.6238 Remote Similarity NPD4788 Approved
0.6228 Remote Similarity NPD5701 Approved
0.6228 Remote Similarity NPD5697 Approved
0.6226 Remote Similarity NPD8035 Phase 2
0.6226 Remote Similarity NPD6079 Approved
0.6226 Remote Similarity NPD8034 Phase 2
0.6216 Remote Similarity NPD5344 Discontinued
0.6207 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6207 Remote Similarity NPD6883 Approved
0.6207 Remote Similarity NPD7290 Approved
0.6207 Remote Similarity NPD7102 Approved
0.6204 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6182 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6174 Remote Similarity NPD6011 Approved
0.6162 Remote Similarity NPD6929 Approved
0.6154 Remote Similarity NPD6650 Approved
0.6154 Remote Similarity NPD6847 Approved
0.6154 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6154 Remote Similarity NPD8130 Phase 1
0.6154 Remote Similarity NPD6649 Approved
0.6154 Remote Similarity NPD7524 Approved
0.6154 Remote Similarity NPD6869 Approved
0.6154 Remote Similarity NPD6617 Approved
0.6154 Remote Similarity NPD7750 Discontinued
0.6146 Remote Similarity NPD6926 Approved
0.6146 Remote Similarity NPD6924 Approved
0.6139 Remote Similarity NPD4221 Approved
0.6139 Remote Similarity NPD4223 Phase 3
0.6129 Remote Similarity NPD8328 Phase 3
0.6126 Remote Similarity NPD6404 Discontinued
0.6121 Remote Similarity NPD6012 Approved
0.6121 Remote Similarity NPD6014 Approved
0.6121 Remote Similarity NPD6013 Approved
0.6117 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6117 Remote Similarity NPD5329 Approved
0.6105 Remote Similarity NPD4243 Approved
0.6102 Remote Similarity NPD8297 Approved
0.61 Remote Similarity NPD6930 Phase 2
0.61 Remote Similarity NPD6931 Approved
0.6095 Remote Similarity NPD5208 Approved
0.6082 Remote Similarity NPD8039 Approved
0.6078 Remote Similarity NPD7154 Phase 3
0.6075 Remote Similarity NPD5284 Approved
0.6075 Remote Similarity NPD6411 Approved
0.6075 Remote Similarity NPD5281 Approved
0.6075 Remote Similarity NPD6050 Approved
0.6063 Remote Similarity NPD7736 Approved
0.6061 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6061 Remote Similarity NPD3617 Approved
0.6061 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6058 Remote Similarity NPD6098 Approved
0.6058 Remote Similarity NPD5279 Phase 3
0.6055 Remote Similarity NPD5210 Approved
0.6055 Remote Similarity NPD4629 Approved
0.6044 Remote Similarity NPD5325 Clinical (unspecified phase)
0.602 Remote Similarity NPD6933 Approved
0.6019 Remote Similarity NPD4202 Approved
0.6019 Remote Similarity NPD5779 Approved
0.6019 Remote Similarity NPD5778 Approved
0.6019 Remote Similarity NPD4197 Approved
0.6018 Remote Similarity NPD5211 Phase 2
0.6014 Remote Similarity NPD7625 Phase 1
0.6 Remote Similarity NPD6067 Discontinued
0.6 Remote Similarity NPD5222 Approved
0.6 Remote Similarity NPD3573 Approved
0.6 Remote Similarity NPD4697 Phase 3
0.6 Remote Similarity NPD7614 Phase 1
0.6 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6 Remote Similarity NPD5221 Approved
0.5984 Remote Similarity NPD8293 Discontinued
0.5983 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5982 Remote Similarity NPD6648 Approved
0.5981 Remote Similarity NPD46 Approved
0.5981 Remote Similarity NPD7838 Discovery
0.5981 Remote Similarity NPD6698 Approved
0.5981 Remote Similarity NPD5692 Phase 3
0.5979 Remote Similarity NPD4784 Approved
0.5979 Remote Similarity NPD4785 Approved
0.5978 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5969 Remote Similarity NPD6914 Discontinued
0.596 Remote Similarity NPD5776 Phase 2
0.596 Remote Similarity NPD6925 Approved
0.595 Remote Similarity NPD6868 Approved
0.5948 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5946 Remote Similarity NPD4755 Approved
0.5946 Remote Similarity NPD5173 Approved
0.5941 Remote Similarity NPD7514 Phase 3
0.5941 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5941 Remote Similarity NPD7332 Phase 2
0.5926 Remote Similarity NPD7087 Discontinued
0.5926 Remote Similarity NPD5694 Approved
0.5922 Remote Similarity NPD5362 Discontinued
0.592 Remote Similarity NPD6370 Approved
0.5918 Remote Similarity NPD8264 Approved
0.5913 Remote Similarity NPD5141 Approved
0.5909 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5905 Remote Similarity NPD5205 Approved
0.5905 Remote Similarity NPD4138 Approved
0.5905 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5905 Remote Similarity NPD4689 Approved
0.5905 Remote Similarity NPD4688 Approved
0.5905 Remote Similarity NPD4693 Phase 3
0.5905 Remote Similarity NPD4690 Approved
0.5902 Remote Similarity NPD6009 Approved
0.5902 Remote Similarity NPD6317 Approved
0.59 Remote Similarity NPD7145 Approved
0.5895 Remote Similarity NPD6922 Approved
0.5895 Remote Similarity NPD6923 Approved
0.5893 Remote Similarity NPD5290 Discontinued
0.5888 Remote Similarity NPD6101 Approved
0.5888 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5882 Remote Similarity NPD6902 Approved

Structure

External Identifiers

PubChem CID   56666216
ChEMBL   CHEMBL1818100
ZINC  

Physicochemical Properties

Molecular Weight:  481.23
ALogP:  0.1673
MLogP:  3.33
XLogP:  5.681
# Rotatable Bonds:  11
Polar Surface Area:  121.34
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  33

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