Natural Product: NPC476533

Natural Product ID:  NPC476533
Common Name:   Siphonodictyal B3
IUPAC Name:   [5-[(E)-[(2S,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ylidene]methyl]-3-formyl-2-hydroxy-4-sulfooxyphenyl] hydrogen sulfate
Synonyms:   Siphonodictyal B3
Molecular Formula:   C22H30O10S2
Standard InCHIKey:  VFBOORDDCFDMAN-QGKRBUCPSA-N
Standard InCHI:  InChI=1S/C22H30O10S2/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)10-14-11-17(31-33(25,26)27)19(24)15(12-23)20(14)32-34(28,29)30/h10-13,18,24H,5-9H2,1-4H3,(H,25,26,27)(H,28,29,30)/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)OS(=O)(=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
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
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 = 0 mm 17309298
NPT20 Organism Candida albicans Candida albicans IZ = 0 mm 17309298
NPT772 Organism Pichia anomala Wickerhamomyces anomalus IZ = 0 mm 17309298
NPT635 Organism Botryotinia fuckeliana Botryotinia fuckeliana IZ = 0 mm 17309298
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus IZ = 0 mm 17309298
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 0 mm 17309298
NPT2701 Organism Pythium debaryanum Pythium debaryanum IZ = 0 mm 17309298
NPT1460 Cell Line L929 Mus musculus Activity > 40 ug/ml 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 NPC476533 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 NPC476532
0.9726 High Similarity NPC474191
0.9586 High Similarity NPC476535
0.8784 High Similarity NPC476534
0.86 High Similarity NPC92079
0.8581 High Similarity NPC48949
0.8523 High Similarity NPC206207
0.8523 High Similarity NPC141368
0.8497 Intermediate Similarity NPC68441
0.8477 Intermediate Similarity NPC187843
0.8366 Intermediate Similarity NPC238629
0.8366 Intermediate Similarity NPC199936
0.8289 Intermediate Similarity NPC471853
0.8228 Intermediate Similarity NPC280295
0.8225 Intermediate Similarity NPC478050
0.8221 Intermediate Similarity NPC87431
0.8205 Intermediate Similarity NPC63918
0.82 Intermediate Similarity NPC475917
0.8194 Intermediate Similarity NPC244691
0.8194 Intermediate Similarity NPC10764
0.8182 Intermediate Similarity NPC474961
0.817 Intermediate Similarity NPC203063
0.816 Intermediate Similarity NPC155302
0.816 Intermediate Similarity NPC161947
0.8158 Intermediate Similarity NPC123714
0.8146 Intermediate Similarity NPC194764
0.8146 Intermediate Similarity NPC264112
0.8146 Intermediate Similarity NPC65005
0.8137 Intermediate Similarity NPC68727
0.8133 Intermediate Similarity NPC474117
0.8133 Intermediate Similarity NPC474224
0.8125 Intermediate Similarity NPC161778
0.8121 Intermediate Similarity NPC101769
0.811 Intermediate Similarity NPC32694
0.811 Intermediate Similarity NPC472275
0.8108 Intermediate Similarity NPC244441
0.8105 Intermediate Similarity NPC143438
0.8101 Intermediate Similarity NPC471907
0.8092 Intermediate Similarity NPC290030
0.8075 Intermediate Similarity NPC477047
0.8075 Intermediate Similarity NPC477048
0.8075 Intermediate Similarity NPC273248
0.8072 Intermediate Similarity NPC473286
0.8065 Intermediate Similarity NPC135524
0.8065 Intermediate Similarity NPC248068
0.8063 Intermediate Similarity NPC35
0.8061 Intermediate Similarity NPC470694
0.8054 Intermediate Similarity NPC85342
0.8054 Intermediate Similarity NPC291001
0.8052 Intermediate Similarity NPC169452
0.8052 Intermediate Similarity NPC181560
0.8049 Intermediate Similarity NPC84571
0.8049 Intermediate Similarity NPC235018
0.8049 Intermediate Similarity NPC45146
0.8049 Intermediate Similarity NPC297212
0.8038 Intermediate Similarity NPC10842
0.8037 Intermediate Similarity NPC78103
0.8027 Intermediate Similarity NPC476536
0.8026 Intermediate Similarity NPC191976
0.8025 Intermediate Similarity NPC130589
0.8025 Intermediate Similarity NPC75295
0.8025 Intermediate Similarity NPC134287
0.8012 Intermediate Similarity NPC470337
0.8012 Intermediate Similarity NPC470338
0.8012 Intermediate Similarity NPC113608
0.8012 Intermediate Similarity NPC220313
0.8012 Intermediate Similarity NPC472278
0.8012 Intermediate Similarity NPC268992
0.8012 Intermediate Similarity NPC51824
0.8012 Intermediate Similarity NPC476295
0.8012 Intermediate Similarity NPC329669
0.8012 Intermediate Similarity NPC473313
0.8 Intermediate Similarity NPC470037
0.8 Intermediate Similarity NPC311740
0.8 Intermediate Similarity NPC472904
0.8 Intermediate Similarity NPC204045
0.8 Intermediate Similarity NPC305845
0.8 Intermediate Similarity NPC266314
0.7988 Intermediate Similarity NPC172770
0.7988 Intermediate Similarity NPC46736
0.7988 Intermediate Similarity NPC185258
0.7987 Intermediate Similarity NPC242994
0.7987 Intermediate Similarity NPC62219
0.7987 Intermediate Similarity NPC162939
0.7987 Intermediate Similarity NPC138099
0.7987 Intermediate Similarity NPC472903
0.7987 Intermediate Similarity NPC190457
0.7976 Intermediate Similarity NPC107009
0.7975 Intermediate Similarity NPC470762
0.7975 Intermediate Similarity NPC142339
0.7975 Intermediate Similarity NPC474167
0.7974 Intermediate Similarity NPC170742
0.7974 Intermediate Similarity NPC147418
0.7974 Intermediate Similarity NPC471905
0.7963 Intermediate Similarity NPC250557
0.7963 Intermediate Similarity NPC107109
0.7963 Intermediate Similarity NPC93552
0.7962 Intermediate Similarity NPC471906
0.795 Intermediate Similarity NPC75377
0.795 Intermediate Similarity NPC227485
0.795 Intermediate Similarity NPC221249
0.7949 Intermediate Similarity NPC193555
0.7949 Intermediate Similarity NPC73061
0.7949 Intermediate Similarity NPC291078
0.7947 Intermediate Similarity NPC111845
0.7947 Intermediate Similarity NPC267205
0.7941 Intermediate Similarity NPC307286
0.7939 Intermediate Similarity NPC228785
0.7939 Intermediate Similarity NPC476280
0.7939 Intermediate Similarity NPC56085
0.7939 Intermediate Similarity NPC14353
0.7939 Intermediate Similarity NPC119224
0.7939 Intermediate Similarity NPC80375
0.7937 Intermediate Similarity NPC477221
0.7927 Intermediate Similarity NPC79053
0.7927 Intermediate Similarity NPC469584
0.7927 Intermediate Similarity NPC236796
0.7927 Intermediate Similarity NPC199463
0.7927 Intermediate Similarity NPC179732
0.7927 Intermediate Similarity NPC37543
0.7925 Intermediate Similarity NPC290194
0.7922 Intermediate Similarity NPC61398
0.7922 Intermediate Similarity NPC230811
0.7922 Intermediate Similarity NPC416
0.7914 Intermediate Similarity NPC39184
0.7914 Intermediate Similarity NPC472048
0.7914 Intermediate Similarity NPC113906
0.7911 Intermediate Similarity NPC258856
0.7911 Intermediate Similarity NPC34482
0.7908 Intermediate Similarity NPC223836
0.7908 Intermediate Similarity NPC471690
0.7908 Intermediate Similarity NPC254847
0.7904 Intermediate Similarity NPC236132
0.7904 Intermediate Similarity NPC12461
0.7904 Intermediate Similarity NPC270837
0.7904 Intermediate Similarity NPC7483
0.7904 Intermediate Similarity NPC41301
0.7901 Intermediate Similarity NPC3744
0.7901 Intermediate Similarity NPC180944
0.7898 Intermediate Similarity NPC293545
0.7898 Intermediate Similarity NPC174905
0.7895 Intermediate Similarity NPC282780
0.7895 Intermediate Similarity NPC474519
0.7895 Intermediate Similarity NPC293454
0.7895 Intermediate Similarity NPC474394
0.7895 Intermediate Similarity NPC471969
0.7895 Intermediate Similarity NPC166480
0.7892 Intermediate Similarity NPC278052
0.7892 Intermediate Similarity NPC61010
0.7892 Intermediate Similarity NPC40491
0.7892 Intermediate Similarity NPC266365
0.7892 Intermediate Similarity NPC278427
0.7891 Intermediate Similarity NPC131799
0.7888 Intermediate Similarity NPC10467
0.7881 Intermediate Similarity NPC175738
0.7881 Intermediate Similarity NPC135801
0.7879 Intermediate Similarity NPC100123
0.7879 Intermediate Similarity NPC329091
0.7879 Intermediate Similarity NPC197856
0.7879 Intermediate Similarity NPC85121
0.7875 Intermediate Similarity NPC166036
0.7875 Intermediate Similarity NPC203077
0.7875 Intermediate Similarity NPC238279
0.787 Intermediate Similarity NPC471975
0.787 Intermediate Similarity NPC478060
0.787 Intermediate Similarity NPC470377
0.787 Intermediate Similarity NPC470374
0.787 Intermediate Similarity NPC478059
0.7867 Intermediate Similarity NPC233056
0.7866 Intermediate Similarity NPC77807
0.7866 Intermediate Similarity NPC14561
0.7866 Intermediate Similarity NPC5379
0.7862 Intermediate Similarity NPC470570
0.7857 Intermediate Similarity NPC53001
0.7857 Intermediate Similarity NPC53206
0.7857 Intermediate Similarity NPC25361
0.7857 Intermediate Similarity NPC53414
0.7857 Intermediate Similarity NPC71390
0.7857 Intermediate Similarity NPC277559
0.7857 Intermediate Similarity NPC326520
0.7857 Intermediate Similarity NPC49911
0.7853 Intermediate Similarity NPC124714
0.7853 Intermediate Similarity NPC89474
0.7853 Intermediate Similarity NPC472211
0.7849 Intermediate Similarity NPC139350
0.7848 Intermediate Similarity NPC227841
0.7848 Intermediate Similarity NPC48762
0.7848 Intermediate Similarity NPC193703
0.7848 Intermediate Similarity NPC21599
0.7844 Intermediate Similarity NPC215612
0.7844 Intermediate Similarity NPC206605
0.7844 Intermediate Similarity NPC294965
0.7843 Intermediate Similarity NPC14377
0.7843 Intermediate Similarity NPC278375
0.7843 Intermediate Similarity NPC290803
0.7843 Intermediate Similarity NPC129752
0.7843 Intermediate Similarity NPC153088
0.784 Intermediate Similarity NPC45291
0.784 Intermediate Similarity NPC19980
0.784 Intermediate Similarity NPC70320

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476533 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
0.8497 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7908 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7881 Intermediate Similarity NPD943 Approved
0.7848 Intermediate Similarity NPD7390 Discontinued
0.7744 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD6232 Discontinued
0.7706 Intermediate Similarity NPD7473 Discontinued
0.7677 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD2801 Approved
0.747 Intermediate Similarity NPD1934 Approved
0.7417 Intermediate Similarity NPD1470 Approved
0.7405 Intermediate Similarity NPD5408 Approved
0.7405 Intermediate Similarity NPD5404 Approved
0.7405 Intermediate Similarity NPD5405 Approved
0.7405 Intermediate Similarity NPD5406 Approved
0.7383 Intermediate Similarity NPD1201 Approved
0.7341 Intermediate Similarity NPD6166 Phase 2
0.7341 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD5494 Approved
0.7301 Intermediate Similarity NPD1511 Approved
0.7296 Intermediate Similarity NPD2935 Discontinued
0.7267 Intermediate Similarity NPD6959 Discontinued
0.7261 Intermediate Similarity NPD230 Phase 1
0.7256 Intermediate Similarity NPD2533 Approved
0.7256 Intermediate Similarity NPD2532 Approved
0.7256 Intermediate Similarity NPD2534 Approved
0.7251 Intermediate Similarity NPD6234 Discontinued
0.7246 Intermediate Similarity NPD4380 Phase 2
0.7235 Intermediate Similarity NPD3882 Suspended
0.7222 Intermediate Similarity NPD8166 Discontinued
0.7219 Intermediate Similarity NPD9269 Phase 2
0.7216 Intermediate Similarity NPD5844 Phase 1
0.7212 Intermediate Similarity NPD1512 Approved
0.7176 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD37 Approved
0.7159 Intermediate Similarity NPD3818 Discontinued
0.7152 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD3300 Phase 2
0.7118 Intermediate Similarity NPD7819 Suspended
0.7104 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD6559 Discontinued
0.7086 Intermediate Similarity NPD3026 Approved
0.7086 Intermediate Similarity NPD3023 Approved
0.7079 Intermediate Similarity NPD7074 Phase 3
0.7076 Intermediate Similarity NPD3817 Phase 2
0.7056 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD4966 Approved
0.7035 Intermediate Similarity NPD4965 Approved
0.7035 Intermediate Similarity NPD4967 Phase 2
0.7022 Intermediate Similarity NPD7054 Approved
0.702 Intermediate Similarity NPD3019 Approved
0.7019 Intermediate Similarity NPD1510 Phase 2
0.7 Intermediate Similarity NPD6651 Approved
0.6994 Remote Similarity NPD7075 Discontinued
0.6983 Remote Similarity NPD7472 Approved
0.697 Remote Similarity NPD6190 Approved
0.6966 Remote Similarity NPD7228 Approved
0.6954 Remote Similarity NPD9268 Approved
0.6954 Remote Similarity NPD3025 Approved
0.6954 Remote Similarity NPD3024 Approved
0.6951 Remote Similarity NPD2800 Approved
0.6946 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6944 Remote Similarity NPD6797 Phase 2
0.6936 Remote Similarity NPD7768 Phase 2
0.6919 Remote Similarity NPD1465 Phase 2
0.6908 Remote Similarity NPD2932 Approved
0.6906 Remote Similarity NPD7251 Discontinued
0.6902 Remote Similarity NPD8150 Discontinued
0.6901 Remote Similarity NPD7411 Suspended
0.6894 Remote Similarity NPD1607 Approved
0.6879 Remote Similarity NPD5402 Approved
0.6875 Remote Similarity NPD1240 Approved
0.6875 Remote Similarity NPD1247 Approved
0.6859 Remote Similarity NPD3094 Phase 2
0.6859 Remote Similarity NPD1164 Approved
0.6851 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6599 Discontinued
0.6829 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6829 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6821 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6807 Remote Similarity NPD6398 Clinical (unspecified phase)
0.68 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6788 Remote Similarity NPD1549 Phase 2
0.6784 Remote Similarity NPD3226 Approved
0.6776 Remote Similarity NPD7808 Phase 3
0.6768 Remote Similarity NPD1551 Phase 2
0.6768 Remote Similarity NPD6100 Approved
0.6768 Remote Similarity NPD6099 Approved
0.6763 Remote Similarity NPD6801 Discontinued
0.676 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6757 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6755 Remote Similarity NPD405 Clinical (unspecified phase)
0.6742 Remote Similarity NPD5710 Approved
0.6742 Remote Similarity NPD5711 Approved
0.674 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6735 Remote Similarity NPD3021 Approved
0.6735 Remote Similarity NPD3022 Approved
0.6735 Remote Similarity NPD4750 Phase 3
0.6732 Remote Similarity NPD4196 Clinical (unspecified phase)
0.672 Remote Similarity NPD8434 Phase 2
0.671 Remote Similarity NPD3092 Approved
0.6708 Remote Similarity NPD6663 Approved
0.6707 Remote Similarity NPD7003 Approved
0.6707 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6688 Remote Similarity NPD3095 Discontinued
0.6687 Remote Similarity NPD3027 Phase 3
0.6685 Remote Similarity NPD36 Approved
0.6685 Remote Similarity NPD4954 Approved
0.6685 Remote Similarity NPD5028 Approved
0.6685 Remote Similarity NPD5026 Approved
0.6685 Remote Similarity NPD5034 Approved
0.6685 Remote Similarity NPD4955 Approved
0.6684 Remote Similarity NPD6535 Approved
0.6684 Remote Similarity NPD6534 Approved
0.6667 Remote Similarity NPD5736 Approved
0.6667 Remote Similarity NPD2796 Approved
0.6667 Remote Similarity NPD9494 Approved
0.6649 Remote Similarity NPD8313 Approved
0.6649 Remote Similarity NPD8312 Approved
0.6631 Remote Similarity NPD5037 Approved
0.6631 Remote Similarity NPD5038 Approved
0.663 Remote Similarity NPD5030 Phase 2
0.6627 Remote Similarity NPD2346 Discontinued
0.6607 Remote Similarity NPD3750 Approved
0.6607 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6606 Remote Similarity NPD2799 Discontinued
0.6598 Remote Similarity NPD6782 Approved
0.6598 Remote Similarity NPD6780 Approved
0.6598 Remote Similarity NPD6779 Approved
0.6598 Remote Similarity NPD6781 Approved
0.6598 Remote Similarity NPD6776 Approved
0.6598 Remote Similarity NPD6778 Approved
0.6598 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6598 Remote Similarity NPD6777 Approved
0.6592 Remote Similarity NPD7199 Phase 2
0.6592 Remote Similarity NPD8127 Discontinued
0.6591 Remote Similarity NPD8438 Clinical (unspecified phase)
0.659 Remote Similarity NPD7458 Discontinued
0.6588 Remote Similarity NPD6799 Approved
0.658 Remote Similarity NPD7699 Phase 2
0.658 Remote Similarity NPD7700 Phase 2
0.6578 Remote Similarity NPD5036 Approved
0.6576 Remote Similarity NPD5953 Discontinued
0.6573 Remote Similarity NPD919 Approved
0.657 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6564 Remote Similarity NPD3620 Phase 2
0.6564 Remote Similarity NPD1613 Approved
0.6564 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6564 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6562 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6559 Remote Similarity NPD5035 Approved
0.6558 Remote Similarity NPD3091 Approved
0.6556 Remote Similarity NPD7229 Phase 3
0.6543 Remote Similarity NPD3764 Approved
0.6543 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6541 Remote Similarity NPD5027 Approved
0.6541 Remote Similarity NPD5031 Approved
0.6541 Remote Similarity NPD5029 Approved
0.6541 Remote Similarity NPD7240 Approved
0.6534 Remote Similarity NPD5760 Phase 2
0.6534 Remote Similarity NPD5761 Phase 2
0.6531 Remote Similarity NPD6823 Phase 2
0.6524 Remote Similarity NPD447 Suspended
0.6522 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6519 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6519 Remote Similarity NPD3926 Phase 2
0.6517 Remote Similarity NPD3749 Approved
0.6515 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6509 Remote Similarity NPD4628 Phase 3
0.65 Remote Similarity NPD6917 Clinical (unspecified phase)
0.65 Remote Similarity NPD8151 Discontinued
0.6497 Remote Similarity NPD7435 Discontinued
0.6494 Remote Similarity NPD5808 Clinical (unspecified phase)
0.649 Remote Similarity NPD7635 Approved
0.6474 Remote Similarity NPD920 Approved
0.6474 Remote Similarity NPD5403 Approved
0.6467 Remote Similarity NPD6020 Phase 2
0.6458 Remote Similarity NPD6213 Phase 3
0.6458 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6458 Remote Similarity NPD6212 Phase 3
0.645 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6437 Remote Similarity NPD1653 Approved
0.6436 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7266 Discontinued
0.6429 Remote Similarity NPD9493 Approved
0.642 Remote Similarity NPD4908 Phase 1
0.6417 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6417 Remote Similarity NPD5032 Approved
0.6416 Remote Similarity NPD6273 Approved
0.6414 Remote Similarity NPD7697 Approved
0.6414 Remote Similarity NPD7698 Approved
0.6414 Remote Similarity NPD7696 Phase 3
0.6412 Remote Similarity NPD3400 Discontinued
0.6406 Remote Similarity NPD5968 Phase 3
0.6405 Remote Similarity NPD5951 Approved

Structure

External Identifiers

PubChem CID   22833274
ChEMBL   CHEMBL225478
ZINC  

Physicochemical Properties

Molecular Weight:  518.13
ALogP:  0.1382
MLogP:  2.56
XLogP:  4.086
# Rotatable Bonds:  13
Polar Surface Area:  181.26
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  34

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs