Natural Product: NPC307110

Natural Product ID:  NPC307110
Common Name:   Citrusin D
IUPAC Name:   (2R,3R,4S,5S,6R)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:  
Molecular Formula:   C16H22O8
Standard InCHIKey:  JOIDTHZGWZZGMU-FAOXUISGSA-N
Standard InCHI:  InChI=1S/C16H22O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC/C=C/c2ccc(c(c2)OC)O)[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
NPO15487 Gymnopus confluens Species Omphalotaceae Eukaryota UNPD*
NPO4274 Alcyonium utinomii Species Alcyoniidae Eukaryota UNPD*
NPO2250 Hylocomium splendens Species Hylocomiaceae Eukaryota UNPD*
NPO14054 Penicillium janczewskii Species Aspergillaceae Eukaryota UNPD*
NPO11822 Antitrogus consanguineus Species Scarabaeidae Eukaryota UNPD*
NPO18993 Araiostegiella perdurans Species Davalliaceae Eukaryota UNPD*
NPO4949 Salvia yosgadensis Species Lamiaceae Eukaryota UNPD*
NPO4669 Hydnocarpus octandra Species Achariaceae Eukaryota UNPD*
NPO295 Kokoona reflexa Species Celastraceae Eukaryota UNPD*
NPO12173 Zantedeschia aethiopica Species Araceae Eukaryota UNPD*
NPO2697 Monodora tenuifolia Species Annonaceae Eukaryota UNPD*
NPO6231 Cortinarius odoratus Species Cortinariaceae Eukaryota UNPD*
NPO11747 Ocimum tenuiflorum Species Lamiaceae Eukaryota UNPD*
NPO3554 Aonidiella aurantii Species Diaspididae Eukaryota UNPD*
NPO849 Euonymus tingens Species Celastraceae Eukaryota UNPD*
NPO11012 Knema attenuata Species Myristicaceae Eukaryota UNPD*
NPO2994 Hornschuchia citriodora Species Annonaceae Eukaryota UNPD*
NPO201 Gmelina arborea Species Lamiaceae Eukaryota UNPD*
NPO3408 Viguiera decurrens Species Asteraceae Eukaryota UNPD*
NPO6457 Pinus strobus Species Pinaceae Eukaryota UNPD*
NPO7606 Salacia lehmbachii Species Celastraceae Eukaryota UNPD*
NPO8058 Pluchea odorata Species Asteraceae Eukaryota UNPD*
NPO3956 Maesa ramentacea Species Primulaceae Eukaryota UNPD*
NPO1489 Pseudoplexaura flagellosa Species Plexauridae Eukaryota UNPD*
NPO10544 Centaurea napifolia Species Asteraceae Eukaryota UNPD*
NPO2408 Millettia laurentii Species Fabaceae Eukaryota UNPD*
NPO7760 Macrolepiota neomastoidea Species Agaricaceae Eukaryota UNPD*
NPO1390 Melolontha melolontha Species Scarabaeidae Eukaryota UNPD*
NPO5584 Aldisa sanguinea Species Dorididae Eukaryota UNPD*
NPO1242 Balanops australiana Species Balanopaceae Eukaryota UNPD*
NPO14460 Berberis aquifolium Species Berberidaceae Eukaryota UNPD*
NPO5261 Sideroxylon cubense Species Sapotaceae Eukaryota UNPD*
NPO7007 Eucalyptus jenseni Species Myrtaceae Eukaryota UNPD*
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota UNPD*
NPO3743 Sideritis brevibracteata Species Lamiaceae Eukaryota UNPD*
NPO25760 Aspergillus striatus Species Aspergillaceae Eukaryota UNPD*
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota UNPD*
NPO24089 Alcea rosea Species Malvaceae Eukaryota UNPD*
NPO3261 Aplysina archeri Species Aplysinidae Eukaryota UNPD*
NPO7449 Eleutherobia albiflora Species Alcyoniidae Eukaryota UNPD*
NPO20649 Rhizopogon pumilionus Species Rhizopogonaceae Eukaryota UNPD*
NPO422 Euphorbia cornigera Species Euphorbiaceae Eukaryota UNPD*
NPO4564 Anguilla japonica Species Anguillidae Eukaryota UNPD*
NPO8024 Diplopteraster multipes Species Pterasteridae Eukaryota UNPD*
NPO5975 Aspergillus carneus Species Aspergillaceae Eukaryota UNPD*
NPO2993 Nototodarus sloanii Species Ommastrephidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 50 % 25466198

  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 NPC307110 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
0.9839 High Similarity NPC65942
0.9839 High Similarity NPC248307
0.976 High Similarity NPC252833
0.9683 High Similarity NPC132895
0.9683 High Similarity NPC6836
0.9677 High Similarity NPC248355
0.9606 High Similarity NPC470881
0.9606 High Similarity NPC35731
0.9597 High Similarity NPC302378
0.952 High Similarity NPC166040
0.9457 High Similarity NPC52277
0.9457 High Similarity NPC199459
0.9457 High Similarity NPC157554
0.9457 High Similarity NPC177035
0.9453 High Similarity NPC107478
0.9449 High Similarity NPC470270
0.9444 High Similarity NPC80600
0.9444 High Similarity NPC472024
0.9385 High Similarity NPC470413
0.9385 High Similarity NPC138738
0.9385 High Similarity NPC195196
0.9385 High Similarity NPC304152
0.9375 High Similarity NPC49074
0.9375 High Similarity NPC25821
0.9365 High Similarity NPC270849
0.9365 High Similarity NPC26653
0.9313 High Similarity NPC212770
0.9313 High Similarity NPC226005
0.9313 High Similarity NPC98777
0.9313 High Similarity NPC100389
0.9297 High Similarity NPC162093
0.9237 High Similarity NPC59324
0.9237 High Similarity NPC65530
0.9219 High Similarity NPC166168
0.9219 High Similarity NPC9912
0.9173 High Similarity NPC472711
0.916 High Similarity NPC203230
0.916 High Similarity NPC164857
0.916 High Similarity NPC242028
0.916 High Similarity NPC186418
0.916 High Similarity NPC37468
0.9154 High Similarity NPC48863
0.9154 High Similarity NPC87696
0.9154 High Similarity NPC187194
0.9154 High Similarity NPC251981
0.9154 High Similarity NPC13745
0.9147 High Similarity NPC299144
0.9104 High Similarity NPC189115
0.9104 High Similarity NPC48309
0.9104 High Similarity NPC469559
0.9104 High Similarity NPC157816
0.9104 High Similarity NPC140502
0.9104 High Similarity NPC475084
0.9098 High Similarity NPC106944
0.9098 High Similarity NPC202700
0.9084 High Similarity NPC101624
0.9084 High Similarity NPC55040
0.9084 High Similarity NPC184938
0.9084 High Similarity NPC470236
0.9077 High Similarity NPC215833
0.9077 High Similarity NPC69513
0.9037 High Similarity NPC278961
0.9037 High Similarity NPC46092
0.9037 High Similarity NPC478239
0.9037 High Similarity NPC470950
0.9037 High Similarity NPC113680
0.9037 High Similarity NPC477898
0.9037 High Similarity NPC185307
0.9032 High Similarity NPC266045
0.9032 High Similarity NPC470804
0.903 High Similarity NPC469661
0.9008 High Similarity NPC476411
0.8984 High Similarity NPC252307
0.8984 High Similarity NPC245826
0.8984 High Similarity NPC474178
0.8971 High Similarity NPC473045
0.8971 High Similarity NPC84181
0.8971 High Similarity NPC470235
0.8971 High Similarity NPC283995
0.8971 High Similarity NPC25292
0.8971 High Similarity NPC129417
0.8971 High Similarity NPC297342
0.8971 High Similarity NPC110063
0.8963 High Similarity NPC5262
0.8963 High Similarity NPC472714
0.8963 High Similarity NPC476356
0.8931 High Similarity NPC115022
0.8931 High Similarity NPC294166
0.8915 High Similarity NPC477293
0.8915 High Similarity NPC86030
0.8915 High Similarity NPC477294
0.8915 High Similarity NPC5851
0.8915 High Similarity NPC229784
0.8906 High Similarity NPC41706
0.8906 High Similarity NPC147821
0.8906 High Similarity NPC292056
0.8906 High Similarity NPC319625
0.8906 High Similarity NPC183181
0.8906 High Similarity NPC111247
0.8906 High Similarity NPC118787
0.8906 High Similarity NPC163332
0.8905 High Similarity NPC252292
0.8905 High Similarity NPC83743
0.8905 High Similarity NPC272619
0.8905 High Similarity NPC100998
0.8905 High Similarity NPC279298
0.8905 High Similarity NPC476382
0.8905 High Similarity NPC34587
0.8905 High Similarity NPC18979
0.8905 High Similarity NPC262182
0.8905 High Similarity NPC34927
0.8905 High Similarity NPC287615
0.8905 High Similarity NPC216819
0.8905 High Similarity NPC22150
0.8905 High Similarity NPC475096
0.8905 High Similarity NPC38041
0.8905 High Similarity NPC286245
0.8898 High Similarity NPC90318
0.8897 High Similarity NPC252169
0.8897 High Similarity NPC473044
0.8889 High Similarity NPC186406
0.8872 High Similarity NPC104167
0.8871 High Similarity NPC35071
0.8871 High Similarity NPC177475
0.8871 High Similarity NPC148615
0.8855 High Similarity NPC254275
0.8855 High Similarity NPC303422
0.8855 High Similarity NPC473285
0.8855 High Similarity NPC106739
0.8855 High Similarity NPC165686
0.8855 High Similarity NPC471505
0.8855 High Similarity NPC85799
0.8855 High Similarity NPC26080
0.8841 High Similarity NPC112861
0.8841 High Similarity NPC476865
0.8841 High Similarity NPC190714
0.8841 High Similarity NPC474234
0.8841 High Similarity NPC125755
0.8841 High Similarity NPC99515
0.8841 High Similarity NPC199928
0.8837 High Similarity NPC72529
0.8837 High Similarity NPC232880
0.8832 High Similarity NPC472713
0.8832 High Similarity NPC472712
0.8832 High Similarity NPC187774
0.8832 High Similarity NPC473046
0.8832 High Similarity NPC253015
0.8832 High Similarity NPC232228
0.8832 High Similarity NPC471065
0.8832 High Similarity NPC118385
0.8828 High Similarity NPC178284
0.8828 High Similarity NPC58607
0.8828 High Similarity NPC191037
0.8824 High Similarity NPC60249
0.8815 High Similarity NPC210478
0.881 High Similarity NPC209567
0.881 High Similarity NPC476142
0.8806 High Similarity NPC477797
0.8806 High Similarity NPC477798
0.88 High Similarity NPC198734
0.88 High Similarity NPC269242
0.88 High Similarity NPC469412
0.8797 High Similarity NPC238243
0.8797 High Similarity NPC135777
0.8797 High Similarity NPC142547
0.879 High Similarity NPC135961
0.879 High Similarity NPC477803
0.879 High Similarity NPC181969
0.879 High Similarity NPC320987
0.8788 High Similarity NPC254398
0.8779 High Similarity NPC121376
0.8779 High Similarity NPC470095
0.8779 High Similarity NPC219677
0.8779 High Similarity NPC470096
0.8777 High Similarity NPC232992
0.8777 High Similarity NPC193473
0.8777 High Similarity NPC213074
0.8777 High Similarity NPC15956
0.8777 High Similarity NPC224674
0.8777 High Similarity NPC39657
0.8777 High Similarity NPC31325
0.8777 High Similarity NPC114505
0.8777 High Similarity NPC227902
0.8777 High Similarity NPC275284
0.8769 High Similarity NPC97326
0.8769 High Similarity NPC228769
0.8769 High Similarity NPC470633
0.8768 High Similarity NPC476864
0.8768 High Similarity NPC469586
0.8768 High Similarity NPC476866
0.8768 High Similarity NPC277867
0.8768 High Similarity NPC476869
0.8768 High Similarity NPC476868
0.8768 High Similarity NPC161700
0.876 High Similarity NPC108659
0.876 High Similarity NPC231607
0.876 High Similarity NPC118533
0.876 High Similarity NPC264900
0.876 High Similarity NPC476873
0.876 High Similarity NPC79715

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307110 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
0.8626 High Similarity NPD3027 Phase 3
0.8492 Intermediate Similarity NPD1357 Approved
0.8467 Intermediate Similarity NPD7266 Discontinued
0.8438 Intermediate Similarity NPD1091 Approved
0.8392 Intermediate Similarity NPD1653 Approved
0.8295 Intermediate Similarity NPD3705 Approved
0.8162 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8162 Intermediate Similarity NPD1613 Approved
0.8145 Intermediate Similarity NPD228 Approved
0.7958 Intermediate Similarity NPD6674 Discontinued
0.7895 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7868 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7794 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7761 Intermediate Similarity NPD2982 Phase 2
0.7761 Intermediate Similarity NPD2983 Phase 2
0.7722 Intermediate Similarity NPD7054 Approved
0.7687 Intermediate Similarity NPD2981 Phase 2
0.7673 Intermediate Similarity NPD7472 Approved
0.7673 Intermediate Similarity NPD7074 Phase 3
0.7662 Intermediate Similarity NPD6234 Discontinued
0.7658 Intermediate Similarity NPD7228 Approved
0.7632 Intermediate Similarity NPD2978 Approved
0.7632 Intermediate Similarity NPD2977 Approved
0.7597 Intermediate Similarity NPD5283 Phase 1
0.7578 Intermediate Similarity NPD7685 Pre-registration
0.7566 Intermediate Similarity NPD37 Approved
0.7547 Intermediate Similarity NPD3818 Discontinued
0.7536 Intermediate Similarity NPD3018 Phase 2
0.7532 Intermediate Similarity NPD4965 Approved
0.7532 Intermediate Similarity NPD4966 Approved
0.7532 Intermediate Similarity NPD4967 Phase 2
0.7519 Intermediate Similarity NPD7843 Approved
0.7518 Intermediate Similarity NPD3620 Phase 2
0.7518 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6797 Phase 2
0.75 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD7157 Approved
0.748 Intermediate Similarity NPD2684 Approved
0.7469 Intermediate Similarity NPD7251 Discontinued
0.7432 Intermediate Similarity NPD5058 Phase 3
0.7423 Intermediate Similarity NPD7808 Phase 3
0.7423 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD291 Approved
0.741 Intermediate Similarity NPD2861 Phase 2
0.7402 Intermediate Similarity NPD290 Approved
0.7394 Intermediate Similarity NPD1558 Phase 1
0.7368 Intermediate Similarity NPD5536 Phase 2
0.7365 Intermediate Similarity NPD6190 Approved
0.7347 Intermediate Similarity NPD4237 Approved
0.7347 Intermediate Similarity NPD4236 Phase 3
0.7347 Intermediate Similarity NPD3060 Approved
0.7338 Intermediate Similarity NPD1934 Approved
0.7329 Intermediate Similarity NPD1375 Discontinued
0.7287 Intermediate Similarity NPD3021 Approved
0.7287 Intermediate Similarity NPD3022 Approved
0.7287 Intermediate Similarity NPD556 Approved
0.7286 Intermediate Similarity NPD9494 Approved
0.7261 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD3145 Approved
0.7254 Intermediate Similarity NPD3144 Approved
0.7241 Intermediate Similarity NPD4536 Approved
0.7241 Intermediate Similarity NPD4538 Approved
0.7241 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD4908 Phase 1
0.7233 Intermediate Similarity NPD7199 Phase 2
0.723 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD6671 Approved
0.7213 Intermediate Similarity NPD9296 Approved
0.7205 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD6166 Phase 2
0.7205 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD2674 Phase 3
0.7197 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD3686 Approved
0.719 Intermediate Similarity NPD3687 Approved
0.7179 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD8455 Phase 2
0.7153 Intermediate Similarity NPD4060 Phase 1
0.7152 Intermediate Similarity NPD7240 Approved
0.7152 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD1358 Approved
0.7105 Intermediate Similarity NPD4123 Phase 3
0.7103 Intermediate Similarity NPD230 Phase 1
0.7101 Intermediate Similarity NPD1610 Phase 2
0.7095 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD5125 Phase 3
0.708 Intermediate Similarity NPD5126 Approved
0.7075 Intermediate Similarity NPD5588 Approved
0.7075 Intermediate Similarity NPD4108 Discontinued
0.7075 Intermediate Similarity NPD5960 Phase 3
0.7071 Intermediate Similarity NPD8651 Approved
0.707 Intermediate Similarity NPD5772 Approved
0.707 Intermediate Similarity NPD5773 Approved
0.707 Intermediate Similarity NPD2801 Approved
0.7059 Intermediate Similarity NPD1548 Phase 1
0.7055 Intermediate Similarity NPD6653 Approved
0.7054 Intermediate Similarity NPD968 Approved
0.7048 Intermediate Similarity NPD6559 Discontinued
0.7039 Intermediate Similarity NPD1774 Approved
0.7037 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD2677 Approved
0.7014 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD7097 Phase 1
0.7 Intermediate Similarity NPD3685 Discontinued
0.7 Intermediate Similarity NPD5177 Phase 3
0.7 Intermediate Similarity NPD1652 Phase 2
0.7 Intermediate Similarity NPD4749 Approved
0.7 Intermediate Similarity NPD4162 Approved
0.6987 Remote Similarity NPD4675 Approved
0.6987 Remote Similarity NPD4678 Approved
0.6981 Remote Similarity NPD3882 Suspended
0.698 Remote Similarity NPD3540 Phase 1
0.697 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6966 Remote Similarity NPD6233 Phase 2
0.6957 Remote Similarity NPD9381 Approved
0.6957 Remote Similarity NPD9384 Approved
0.6954 Remote Similarity NPD4110 Phase 3
0.6954 Remote Similarity NPD4628 Phase 3
0.6954 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6944 Remote Similarity NPD3180 Approved
0.6944 Remote Similarity NPD3179 Approved
0.6939 Remote Similarity NPD2492 Phase 1
0.6929 Remote Similarity NPD2235 Phase 2
0.6929 Remote Similarity NPD2231 Phase 2
0.6928 Remote Similarity NPD4357 Discontinued
0.6923 Remote Similarity NPD3134 Approved
0.6918 Remote Similarity NPD2238 Phase 2
0.6918 Remote Similarity NPD3817 Phase 2
0.6913 Remote Similarity NPD3539 Phase 1
0.6908 Remote Similarity NPD2219 Phase 1
0.6908 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6906 Remote Similarity NPD3496 Discontinued
0.6903 Remote Similarity NPD2122 Discontinued
0.6901 Remote Similarity NPD6842 Approved
0.6901 Remote Similarity NPD6841 Approved
0.6901 Remote Similarity NPD6843 Phase 3
0.6899 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6883 Remote Similarity NPD4739 Approved
0.6879 Remote Similarity NPD9622 Approved
0.6879 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6879 Remote Similarity NPD4380 Phase 2
0.6875 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6871 Remote Similarity NPD5735 Approved
0.6867 Remote Similarity NPD5763 Approved
0.6867 Remote Similarity NPD5762 Approved
0.6863 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6857 Remote Similarity NPD422 Phase 1
0.6855 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6853 Remote Similarity NPD6584 Phase 3
0.6853 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6842 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6839 Remote Similarity NPD52 Approved
0.6839 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6839 Remote Similarity NPD7526 Approved
0.6836 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6835 Remote Similarity NPD5846 Approved
0.6835 Remote Similarity NPD1778 Approved
0.6835 Remote Similarity NPD6516 Phase 2
0.6832 Remote Similarity NPD5604 Discontinued
0.6828 Remote Similarity NPD4625 Phase 3
0.6828 Remote Similarity NPD7095 Approved
0.6821 Remote Similarity NPD2424 Discontinued
0.6818 Remote Similarity NPD1511 Approved
0.6813 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6813 Remote Similarity NPD2563 Approved
0.6813 Remote Similarity NPD2560 Approved
0.6803 Remote Similarity NPD3062 Approved
0.6803 Remote Similarity NPD3059 Approved
0.6803 Remote Similarity NPD3061 Approved
0.68 Remote Similarity NPD2161 Phase 2
0.6797 Remote Similarity NPD1242 Phase 1
0.6797 Remote Similarity NPD5241 Discontinued
0.6786 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6783 Remote Similarity NPD3094 Phase 2
0.6781 Remote Similarity NPD6798 Discontinued
0.6781 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6779 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6778 Remote Similarity NPD7680 Approved
0.6774 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6768 Remote Similarity NPD3787 Discontinued
0.6766 Remote Similarity NPD5844 Phase 1
0.6763 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6757 Remote Similarity NPD5124 Phase 1
0.6757 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6757 Remote Similarity NPD447 Suspended
0.6757 Remote Similarity NPD4340 Discontinued
0.6757 Remote Similarity NPD6355 Discontinued
0.675 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6741 Remote Similarity NPD821 Approved
0.6738 Remote Similarity NPD776 Approved
0.6736 Remote Similarity NPD9619 Approved
0.6736 Remote Similarity NPD9621 Approved
0.6736 Remote Similarity NPD9620 Approved
0.6735 Remote Similarity NPD4062 Phase 3
0.6735 Remote Similarity NPD554 Clinical (unspecified phase)
0.6732 Remote Similarity NPD4535 Phase 3

Structure

External Identifiers

PubChem CID   10914828
ChEMBL   CHEMBL3581237
ZINC  

Physicochemical Properties

Molecular Weight:  342.13
ALogP:  -2.2399
MLogP:  2.34
XLogP:  0.027
# Rotatable Bonds:  12
Polar Surface Area:  128.84
# H-Bond Aceptor:  6
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  24

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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