Natural Product: NPC476532

Natural Product ID:  NPC476532
Common Name:   Siphonodictyal B2
IUPAC Name:   [6-[(E)-[(2S,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ylidene]methyl]-2-formyl-3,4-dihydroxyphenyl] hydrogen sulfate
Synonyms:   Siphonodictyal B2
Molecular Formula:   C22H30O7S
Standard InCHIKey:  MMPODADSKBDMPK-QGKRBUCPSA-N
Standard InCHI:  InChI=1S/C22H30O7S/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)10-14-11-17(24)19(25)15(12-23)20(14)29-30(26,27)28/h10-13,18,24-25H,5-9H2,1-4H3,(H,26,27,28)/b16-10+/t13-,18?,22+/m0/s1
Canonical SMILES:  O=Cc1c(OS(=O)(=O)O)c(/C=C/2[C@@H](C)CCC3[C@]2(C)CCCC3(C)C)cc(c1O)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
NPO9771 Aka coralliphagum Species Niphatidae Eukaryota San Salvador in the Bahamas (12-26 m depth) 2001-MAR; 2003-JUL PMID[17309298]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 88.8 % 17309298
NPT2 Others Unspecified Activity = 25.3 % 17309298
NPT19 Organism Escherichia coli Escherichia coli IZ = 0 mm 17309298
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae IZ = 0 mm 17309298
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 0 mm 17309298
NPT729 Organism Micrococcus luteus Micrococcus luteus IZ = 0 mm 17309298
NPT1177 Organism Mycobacterium phlei Mycobacterium phlei IZ = 0 mm 17309298
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 13 mm 17309298
NPT20 Organism Candida albicans Candida albicans IZ = 0 mm 17309298
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 0 mm 17309298
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus IZ = 0 mm 17309298
NPT635 Organism Botryotinia fuckeliana Botryotinia fuckeliana IZ = 15 mm 17309298
NPT2701 Organism Pythium debaryanum Pythium debaryanum IZ = 0 mm 17309298
NPT1460 Cell Line L929 Mus musculus IZ = 6 mm 17309298

  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 NPC476532 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
0.9862 High Similarity NPC476533
0.9861 High Similarity NPC474191
0.972 High Similarity NPC476535
0.8904 High Similarity NPC476534
0.8716 High Similarity NPC92079
0.8693 High Similarity NPC48949
0.8639 High Similarity NPC141368
0.8639 High Similarity NPC206207
0.8591 High Similarity NPC187843
0.8487 Intermediate Similarity NPC68441
0.8477 Intermediate Similarity NPC199936
0.8477 Intermediate Similarity NPC238629
0.84 Intermediate Similarity NPC471853
0.8323 Intermediate Similarity NPC478050
0.8312 Intermediate Similarity NPC63918
0.8311 Intermediate Similarity NPC475917
0.8301 Intermediate Similarity NPC244691
0.8289 Intermediate Similarity NPC474961
0.8278 Intermediate Similarity NPC203063
0.8267 Intermediate Similarity NPC123714
0.8261 Intermediate Similarity NPC161947
0.8261 Intermediate Similarity NPC155302
0.8255 Intermediate Similarity NPC194764
0.8255 Intermediate Similarity NPC264112
0.8255 Intermediate Similarity NPC65005
0.8243 Intermediate Similarity NPC474224
0.8243 Intermediate Similarity NPC474117
0.8228 Intermediate Similarity NPC161778
0.8221 Intermediate Similarity NPC101769
0.8219 Intermediate Similarity NPC244441
0.8217 Intermediate Similarity NPC280295
0.8212 Intermediate Similarity NPC143438
0.821 Intermediate Similarity NPC32694
0.821 Intermediate Similarity NPC472275
0.821 Intermediate Similarity NPC87431
0.82 Intermediate Similarity NPC290030
0.8182 Intermediate Similarity NPC10764
0.8176 Intermediate Similarity NPC273248
0.8171 Intermediate Similarity NPC473286
0.817 Intermediate Similarity NPC135524
0.817 Intermediate Similarity NPC248068
0.8163 Intermediate Similarity NPC85342
0.8163 Intermediate Similarity NPC291001
0.816 Intermediate Similarity NPC470694
0.8158 Intermediate Similarity NPC181560
0.8158 Intermediate Similarity NPC169452
0.8148 Intermediate Similarity NPC45146
0.8148 Intermediate Similarity NPC84571
0.8148 Intermediate Similarity NPC235018
0.8148 Intermediate Similarity NPC297212
0.8141 Intermediate Similarity NPC10842
0.8138 Intermediate Similarity NPC476536
0.8133 Intermediate Similarity NPC191976
0.8129 Intermediate Similarity NPC75295
0.8125 Intermediate Similarity NPC130589
0.8125 Intermediate Similarity NPC68727
0.8125 Intermediate Similarity NPC134287
0.8113 Intermediate Similarity NPC113608
0.8113 Intermediate Similarity NPC268992
0.8113 Intermediate Similarity NPC51824
0.8113 Intermediate Similarity NPC470338
0.8113 Intermediate Similarity NPC470337
0.811 Intermediate Similarity NPC472278
0.811 Intermediate Similarity NPC473313
0.811 Intermediate Similarity NPC220313
0.811 Intermediate Similarity NPC476295
0.811 Intermediate Similarity NPC329669
0.8105 Intermediate Similarity NPC204045
0.8105 Intermediate Similarity NPC472904
0.8105 Intermediate Similarity NPC305845
0.8101 Intermediate Similarity NPC470037
0.8098 Intermediate Similarity NPC311740
0.8095 Intermediate Similarity NPC62219
0.8092 Intermediate Similarity NPC472903
0.8092 Intermediate Similarity NPC162939
0.8092 Intermediate Similarity NPC138099
0.8092 Intermediate Similarity NPC190457
0.8092 Intermediate Similarity NPC242994
0.8089 Intermediate Similarity NPC471907
0.8086 Intermediate Similarity NPC46736
0.8086 Intermediate Similarity NPC185258
0.8086 Intermediate Similarity NPC172770
0.8079 Intermediate Similarity NPC147418
0.8079 Intermediate Similarity NPC471905
0.8075 Intermediate Similarity NPC142339
0.8075 Intermediate Similarity NPC470762
0.8075 Intermediate Similarity NPC474167
0.8065 Intermediate Similarity NPC471906
0.8063 Intermediate Similarity NPC107109
0.8063 Intermediate Similarity NPC477047
0.8063 Intermediate Similarity NPC477048
0.8063 Intermediate Similarity NPC93552
0.8054 Intermediate Similarity NPC267205
0.8054 Intermediate Similarity NPC111845
0.8052 Intermediate Similarity NPC73061
0.8052 Intermediate Similarity NPC193555
0.8052 Intermediate Similarity NPC291078
0.805 Intermediate Similarity NPC75377
0.805 Intermediate Similarity NPC35
0.805 Intermediate Similarity NPC221249
0.8037 Intermediate Similarity NPC119224
0.8037 Intermediate Similarity NPC476280
0.8037 Intermediate Similarity NPC228785
0.8037 Intermediate Similarity NPC14353
0.8037 Intermediate Similarity NPC56085
0.8037 Intermediate Similarity NPC80375
0.8036 Intermediate Similarity NPC307286
0.8026 Intermediate Similarity NPC230811
0.8026 Intermediate Similarity NPC61398
0.8026 Intermediate Similarity NPC416
0.8025 Intermediate Similarity NPC78103
0.8025 Intermediate Similarity NPC179732
0.8025 Intermediate Similarity NPC236796
0.8025 Intermediate Similarity NPC37543
0.8025 Intermediate Similarity NPC469584
0.8025 Intermediate Similarity NPC79053
0.8025 Intermediate Similarity NPC199463
0.8013 Intermediate Similarity NPC223836
0.8013 Intermediate Similarity NPC258856
0.8013 Intermediate Similarity NPC34482
0.8013 Intermediate Similarity NPC471690
0.8013 Intermediate Similarity NPC254847
0.8012 Intermediate Similarity NPC113906
0.8012 Intermediate Similarity NPC39184
0.8012 Intermediate Similarity NPC472048
0.8 Intermediate Similarity NPC180944
0.8 Intermediate Similarity NPC270837
0.8 Intermediate Similarity NPC474394
0.8 Intermediate Similarity NPC3744
0.8 Intermediate Similarity NPC282780
0.8 Intermediate Similarity NPC166480
0.8 Intermediate Similarity NPC236132
0.8 Intermediate Similarity NPC293454
0.8 Intermediate Similarity NPC474519
0.8 Intermediate Similarity NPC12461
0.8 Intermediate Similarity NPC131799
0.8 Intermediate Similarity NPC7483
0.7988 Intermediate Similarity NPC471969
0.7988 Intermediate Similarity NPC40491
0.7988 Intermediate Similarity NPC278052
0.7988 Intermediate Similarity NPC266314
0.7988 Intermediate Similarity NPC278427
0.7988 Intermediate Similarity NPC61010
0.7987 Intermediate Similarity NPC175738
0.7987 Intermediate Similarity NPC10467
0.7987 Intermediate Similarity NPC135801
0.7975 Intermediate Similarity NPC85121
0.7975 Intermediate Similarity NPC100123
0.7975 Intermediate Similarity NPC197856
0.7975 Intermediate Similarity NPC238279
0.7975 Intermediate Similarity NPC203077
0.7975 Intermediate Similarity NPC329091
0.7975 Intermediate Similarity NPC166036
0.7973 Intermediate Similarity NPC233056
0.7964 Intermediate Similarity NPC471975
0.7964 Intermediate Similarity NPC470374
0.7964 Intermediate Similarity NPC478060
0.7964 Intermediate Similarity NPC470377
0.7964 Intermediate Similarity NPC107009
0.7964 Intermediate Similarity NPC478059
0.7963 Intermediate Similarity NPC77807
0.7963 Intermediate Similarity NPC14561
0.7963 Intermediate Similarity NPC5379
0.7962 Intermediate Similarity NPC470570
0.7961 Intermediate Similarity NPC49911
0.7961 Intermediate Similarity NPC277559
0.7961 Intermediate Similarity NPC53001
0.7961 Intermediate Similarity NPC53414
0.7961 Intermediate Similarity NPC53206
0.7961 Intermediate Similarity NPC170742
0.7952 Intermediate Similarity NPC25361
0.7952 Intermediate Similarity NPC326520
0.795 Intermediate Similarity NPC89474
0.795 Intermediate Similarity NPC124714
0.795 Intermediate Similarity NPC250557
0.7949 Intermediate Similarity NPC21599
0.7949 Intermediate Similarity NPC48762
0.7949 Intermediate Similarity NPC193703
0.7947 Intermediate Similarity NPC14377
0.7947 Intermediate Similarity NPC290803
0.7947 Intermediate Similarity NPC153088
0.7947 Intermediate Similarity NPC129752
0.7947 Intermediate Similarity NPC278375
0.7945 Intermediate Similarity NPC49647
0.7945 Intermediate Similarity NPC227741
0.7945 Intermediate Similarity NPC295202
0.7945 Intermediate Similarity NPC136342
0.7939 Intermediate Similarity NPC206605
0.7939 Intermediate Similarity NPC294965
0.7939 Intermediate Similarity NPC215612
0.7937 Intermediate Similarity NPC19980
0.7937 Intermediate Similarity NPC70320
0.7937 Intermediate Similarity NPC45291
0.7937 Intermediate Similarity NPC227485
0.7935 Intermediate Similarity NPC137649
0.7933 Intermediate Similarity NPC314048
0.7933 Intermediate Similarity NPC138472
0.7927 Intermediate Similarity NPC474287
0.7927 Intermediate Similarity NPC320359
0.7927 Intermediate Similarity NPC475886

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476532 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
0.8487 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.8013 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD943 Approved
0.784 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD7390 Discontinued
0.7778 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD2801 Approved
0.7725 Intermediate Similarity NPD6232 Discontinued
0.7692 Intermediate Similarity NPD7473 Discontinued
0.7561 Intermediate Similarity NPD1934 Approved
0.7517 Intermediate Similarity NPD1470 Approved
0.75 Intermediate Similarity NPD5404 Approved
0.75 Intermediate Similarity NPD5408 Approved
0.75 Intermediate Similarity NPD5406 Approved
0.75 Intermediate Similarity NPD5405 Approved
0.7483 Intermediate Similarity NPD1201 Approved
0.7396 Intermediate Similarity NPD5494 Approved
0.7391 Intermediate Similarity NPD1511 Approved
0.7389 Intermediate Similarity NPD2935 Discontinued
0.7355 Intermediate Similarity NPD230 Phase 1
0.7346 Intermediate Similarity NPD2534 Approved
0.7346 Intermediate Similarity NPD2532 Approved
0.7346 Intermediate Similarity NPD2533 Approved
0.7326 Intermediate Similarity NPD6166 Phase 2
0.7326 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD3882 Suspended
0.7321 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD9269 Phase 2
0.7312 Intermediate Similarity NPD8166 Discontinued
0.7301 Intermediate Similarity NPD1512 Approved
0.7299 Intermediate Similarity NPD5844 Phase 1
0.7251 Intermediate Similarity NPD6959 Discontinued
0.7239 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD6234 Discontinued
0.7229 Intermediate Similarity NPD4380 Phase 2
0.7222 Intermediate Similarity NPD3300 Phase 2
0.7188 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD3026 Approved
0.7181 Intermediate Similarity NPD3023 Approved
0.716 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3818 Discontinued
0.7143 Intermediate Similarity NPD37 Approved
0.7114 Intermediate Similarity NPD3019 Approved
0.7107 Intermediate Similarity NPD1510 Phase 2
0.7101 Intermediate Similarity NPD7819 Suspended
0.7088 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD6559 Discontinued
0.7062 Intermediate Similarity NPD7074 Phase 3
0.7059 Intermediate Similarity NPD3817 Phase 2
0.7047 Intermediate Similarity NPD9268 Approved
0.7047 Intermediate Similarity NPD3024 Approved
0.7047 Intermediate Similarity NPD3025 Approved
0.7039 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD2800 Approved
0.7018 Intermediate Similarity NPD4966 Approved
0.7018 Intermediate Similarity NPD4967 Phase 2
0.7018 Intermediate Similarity NPD4965 Approved
0.7018 Intermediate Similarity NPD7768 Phase 2
0.7006 Intermediate Similarity NPD7054 Approved
0.7 Intermediate Similarity NPD2932 Approved
0.6981 Remote Similarity NPD6651 Approved
0.6981 Remote Similarity NPD1607 Approved
0.6977 Remote Similarity NPD7075 Discontinued
0.6966 Remote Similarity NPD7472 Approved
0.6962 Remote Similarity NPD1240 Approved
0.6954 Remote Similarity NPD1247 Approved
0.6951 Remote Similarity NPD6190 Approved
0.6949 Remote Similarity NPD7228 Approved
0.6948 Remote Similarity NPD1164 Approved
0.6948 Remote Similarity NPD3094 Phase 2
0.6928 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6927 Remote Similarity NPD6797 Phase 2
0.6923 Remote Similarity NPD6599 Discontinued
0.6914 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6914 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6901 Remote Similarity NPD1465 Phase 2
0.6901 Remote Similarity NPD7096 Clinical (unspecified phase)
0.689 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6889 Remote Similarity NPD7251 Discontinued
0.6885 Remote Similarity NPD8150 Discontinued
0.6882 Remote Similarity NPD7411 Suspended
0.6871 Remote Similarity NPD1549 Phase 2
0.686 Remote Similarity NPD5402 Approved
0.6852 Remote Similarity NPD1551 Phase 2
0.6852 Remote Similarity NPD6099 Approved
0.6852 Remote Similarity NPD6100 Approved
0.6846 Remote Similarity NPD405 Clinical (unspecified phase)
0.6833 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6828 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6828 Remote Similarity NPD4750 Phase 3
0.6828 Remote Similarity NPD3022 Approved
0.6828 Remote Similarity NPD3021 Approved
0.6821 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5711 Approved
0.6818 Remote Similarity NPD5710 Approved
0.6797 Remote Similarity NPD3092 Approved
0.6792 Remote Similarity NPD6663 Approved
0.679 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6788 Remote Similarity NPD7003 Approved
0.6782 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6776 Remote Similarity NPD3095 Discontinued
0.6772 Remote Similarity NPD3027 Phase 3
0.6765 Remote Similarity NPD3226 Approved
0.6758 Remote Similarity NPD7808 Phase 3
0.6752 Remote Similarity NPD5736 Approved
0.6752 Remote Similarity NPD9494 Approved
0.6748 Remote Similarity NPD2796 Approved
0.6744 Remote Similarity NPD6801 Discontinued
0.6742 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6739 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6722 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6707 Remote Similarity NPD2346 Discontinued
0.6703 Remote Similarity NPD8434 Phase 2
0.6687 Remote Similarity NPD3750 Approved
0.6687 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6687 Remote Similarity NPD2799 Discontinued
0.6667 Remote Similarity NPD5026 Approved
0.6667 Remote Similarity NPD5028 Approved
0.6667 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6535 Approved
0.6667 Remote Similarity NPD36 Approved
0.6667 Remote Similarity NPD7458 Discontinued
0.6667 Remote Similarity NPD4955 Approved
0.6667 Remote Similarity NPD6534 Approved
0.6667 Remote Similarity NPD6799 Approved
0.6667 Remote Similarity NPD5034 Approved
0.6667 Remote Similarity NPD4954 Approved
0.6648 Remote Similarity NPD919 Approved
0.6646 Remote Similarity NPD3620 Phase 2
0.6646 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6646 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6646 Remote Similarity NPD1613 Approved
0.6646 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6645 Remote Similarity NPD3091 Approved
0.663 Remote Similarity NPD8312 Approved
0.663 Remote Similarity NPD8313 Approved
0.6629 Remote Similarity NPD7229 Phase 3
0.6625 Remote Similarity NPD3764 Approved
0.6625 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6613 Remote Similarity NPD5038 Approved
0.6613 Remote Similarity NPD5037 Approved
0.6612 Remote Similarity NPD5030 Phase 2
0.6609 Remote Similarity NPD5761 Phase 2
0.6609 Remote Similarity NPD5760 Phase 2
0.6605 Remote Similarity NPD447 Suspended
0.6604 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6591 Remote Similarity NPD3749 Approved
0.6587 Remote Similarity NPD4628 Phase 3
0.6582 Remote Similarity NPD6917 Clinical (unspecified phase)
0.658 Remote Similarity NPD6778 Approved
0.658 Remote Similarity NPD6781 Approved
0.658 Remote Similarity NPD7501 Clinical (unspecified phase)
0.658 Remote Similarity NPD6776 Approved
0.658 Remote Similarity NPD6780 Approved
0.658 Remote Similarity NPD6779 Approved
0.658 Remote Similarity NPD6782 Approved
0.658 Remote Similarity NPD6777 Approved
0.6577 Remote Similarity NPD7635 Approved
0.6573 Remote Similarity NPD8127 Discontinued
0.6573 Remote Similarity NPD7199 Phase 2
0.657 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7699 Phase 2
0.6562 Remote Similarity NPD7700 Phase 2
0.6559 Remote Similarity NPD5036 Approved
0.6557 Remote Similarity NPD5953 Discontinued
0.655 Remote Similarity NPD6980 Clinical (unspecified phase)
0.655 Remote Similarity NPD920 Approved
0.6541 Remote Similarity NPD5035 Approved
0.6538 Remote Similarity NPD6020 Phase 2
0.6527 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6522 Remote Similarity NPD5031 Approved
0.6522 Remote Similarity NPD7240 Approved
0.6522 Remote Similarity NPD5027 Approved
0.6522 Remote Similarity NPD5029 Approved
0.6513 Remote Similarity NPD6823 Phase 2
0.6513 Remote Similarity NPD9493 Approved
0.6505 Remote Similarity NPD7090 Clinical (unspecified phase)
0.65 Remote Similarity NPD3926 Phase 2
0.65 Remote Similarity NPD4908 Phase 1
0.65 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6497 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6491 Remote Similarity NPD6273 Approved
0.649 Remote Similarity NPD5951 Approved
0.6486 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6482 Remote Similarity NPD8151 Discontinued
0.648 Remote Similarity NPD7435 Discontinued
0.6478 Remote Similarity NPD2798 Approved
0.6458 Remote Similarity NPD940 Approved
0.6458 Remote Similarity NPD846 Approved
0.6453 Remote Similarity NPD5403 Approved
0.6448 Remote Similarity NPD7286 Phase 2
0.644 Remote Similarity NPD6212 Phase 3
0.644 Remote Similarity NPD6213 Phase 3
0.644 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6433 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6433 Remote Similarity NPD642 Clinical (unspecified phase)
0.6433 Remote Similarity NPD7004 Clinical (unspecified phase)
0.642 Remote Similarity NPD2313 Discontinued

Structure

External Identifiers

PubChem CID   22833273
ChEMBL   CHEMBL388777
ZINC  

Physicochemical Properties

Molecular Weight:  438.17
ALogP:  0.187
MLogP:  3
XLogP:  5.383
# Rotatable Bonds:  11
Polar Surface Area:  129.51
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  30

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Biological Activities  
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