Natural Product: NPC198798

Natural Product ID:  NPC198798
Common Name:   Niazirin
IUPAC Name:   2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetonitrile
Synonyms:   Niazirin
Molecular Formula:   C14H17NO5
Standard InCHIKey:  OBJREHLZEIEGDU-CNJBRALLSA-N
Standard InCHI:  InChI=1S/C14H17NO5/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-7-15/h2-5,8,11-14,16-18H,6H2,1H3/t8-,11-,12+,13+,14-/m0/s1
Canonical SMILES:  N#CCc1ccc(cc1)O[C@@H]1O[C@@H](C)[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
NPO5021 Podospora curvicolla Species Lasiosphaeriaceae Eukaryota UNPD*
NPO5937 Garrya laurifolia Species Garryaceae Eukaryota UNPD*
NPO4221 Fusarium sacchari Species Nectriaceae Eukaryota UNPD*
NPO495 Daemonorops draco Species Arecaceae Eukaryota UNPD*
NPO11021 Moringa oleifera Species Moringaceae Eukaryota UNPD*
NPO4858 Helipterum gnaphaloides Species Asteraceae Eukaryota UNPD*
NPO3905 Medinilla magnifica Species Melastomataceae Eukaryota UNPD*
NPO1585 Onobrychis bobrovii Species Fabaceae Eukaryota UNPD*
NPO2501 Trifolium strepens Species Fabaceae Eukaryota UNPD*
NPO6187 Sequoia sempervirens Species Cupressaceae Eukaryota UNPD*
NPO3302 Fusarium avenaceum Species Nectriaceae Eukaryota UNPD*
NPO8339 Lithothamnion corallioides Species Hapalidiaceae Eukaryota UNPD*
NPO7963 Excoecaria acerifolia Species Euphorbiaceae Eukaryota UNPD*
NPO681 Mesua ferrea Species Calophyllaceae Eukaryota UNPD*
NPO823 Senecio cathcartensis Species Asteraceae Eukaryota UNPD*
NPO4410 Laggera alata Species Asteraceae Eukaryota UNPD*
NPO8703 Monopteryx uaucu Species Fabaceae Eukaryota UNPD*
NPO2703 Petteria ramentacea Species Fabaceae Eukaryota UNPD*
NPO5536 Papaver persicum Species Papaveraceae Eukaryota UNPD*
NPO7266 Goupia glabra Species Goupiaceae 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 IC50 > 45000 nM 20685125
NPT113 Cell Line RAW264.7 Mus musculus Inhibition < 1 % 20685125

  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 NPC198798 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
0.9333 High Similarity NPC469708
0.9333 High Similarity NPC60589
0.9187 High Similarity NPC212176
0.9098 High Similarity NPC469412
0.9098 High Similarity NPC198734
0.9098 High Similarity NPC269242
0.896 High Similarity NPC287429
0.8952 High Similarity NPC476142
0.876 High Similarity NPC26653
0.876 High Similarity NPC270849
0.872 High Similarity NPC226712
0.8692 High Similarity NPC80600
0.8692 High Similarity NPC472024
0.8682 High Similarity NPC302378
0.8615 High Similarity NPC248355
0.8615 High Similarity NPC166040
0.8615 High Similarity NPC295970
0.8595 High Similarity NPC120217
0.8537 High Similarity NPC175771
0.8529 High Similarity NPC195814
0.8525 High Similarity NPC313193
0.8519 High Similarity NPC36434
0.8485 Intermediate Similarity NPC9912
0.8473 Intermediate Similarity NPC97326
0.8456 Intermediate Similarity NPC298821
0.845 Intermediate Similarity NPC470510
0.845 Intermediate Similarity NPC12308
0.8433 Intermediate Similarity NPC187194
0.8421 Intermediate Similarity NPC162093
0.8409 Intermediate Similarity NPC474491
0.8394 Intermediate Similarity NPC123761
0.8387 Intermediate Similarity NPC148055
0.8374 Intermediate Similarity NPC157338
0.8358 Intermediate Similarity NPC215833
0.8358 Intermediate Similarity NPC294166
0.8358 Intermediate Similarity NPC49074
0.8358 Intermediate Similarity NPC69513
0.8358 Intermediate Similarity NPC25821
0.8358 Intermediate Similarity NPC115022
0.8346 Intermediate Similarity NPC121376
0.8346 Intermediate Similarity NPC248307
0.8346 Intermediate Similarity NPC65942
0.8333 Intermediate Similarity NPC307110
0.832 Intermediate Similarity NPC122245
0.832 Intermediate Similarity NPC266389
0.832 Intermediate Similarity NPC216605
0.8309 Intermediate Similarity NPC294470
0.8296 Intermediate Similarity NPC471029
0.8296 Intermediate Similarity NPC13745
0.8296 Intermediate Similarity NPC48863
0.8296 Intermediate Similarity NPC476411
0.8296 Intermediate Similarity NPC251981
0.8284 Intermediate Similarity NPC303422
0.8284 Intermediate Similarity NPC299144
0.8284 Intermediate Similarity NPC26080
0.8284 Intermediate Similarity NPC85799
0.8284 Intermediate Similarity NPC165686
0.8271 Intermediate Similarity NPC262606
0.8258 Intermediate Similarity NPC146540
0.8258 Intermediate Similarity NPC40377
0.8248 Intermediate Similarity NPC138738
0.8248 Intermediate Similarity NPC470413
0.8248 Intermediate Similarity NPC262328
0.8248 Intermediate Similarity NPC87777
0.8235 Intermediate Similarity NPC55040
0.8235 Intermediate Similarity NPC470236
0.8235 Intermediate Similarity NPC79957
0.8235 Intermediate Similarity NPC238243
0.8226 Intermediate Similarity NPC142319
0.8214 Intermediate Similarity NPC136951
0.8214 Intermediate Similarity NPC161155
0.8214 Intermediate Similarity NPC97004
0.8197 Intermediate Similarity NPC46844
0.8195 Intermediate Similarity NPC218003
0.8175 Intermediate Similarity NPC138350
0.8175 Intermediate Similarity NPC40664
0.8175 Intermediate Similarity NPC164857
0.8175 Intermediate Similarity NPC37468
0.8175 Intermediate Similarity NPC3293
0.8175 Intermediate Similarity NPC165482
0.8175 Intermediate Similarity NPC197723
0.8162 Intermediate Similarity NPC35731
0.8162 Intermediate Similarity NPC34456
0.8162 Intermediate Similarity NPC470881
0.8162 Intermediate Similarity NPC188555
0.8162 Intermediate Similarity NPC130496
0.8156 Intermediate Similarity NPC97282
0.8148 Intermediate Similarity NPC269421
0.8148 Intermediate Similarity NPC252833
0.8143 Intermediate Similarity NPC178466
0.8143 Intermediate Similarity NPC63628
0.8125 Intermediate Similarity NPC469702
0.8125 Intermediate Similarity NPC282409
0.8116 Intermediate Similarity NPC124149
0.8102 Intermediate Similarity NPC212729
0.8088 Intermediate Similarity NPC6836
0.8088 Intermediate Similarity NPC132895
0.8074 Intermediate Similarity NPC475067
0.8074 Intermediate Similarity NPC166168
0.8071 Intermediate Similarity NPC76871
0.8071 Intermediate Similarity NPC108674
0.8071 Intermediate Similarity NPC79908
0.8071 Intermediate Similarity NPC210192
0.8062 Intermediate Similarity NPC476445
0.8062 Intermediate Similarity NPC476448
0.8062 Intermediate Similarity NPC469548
0.8058 Intermediate Similarity NPC98777
0.8058 Intermediate Similarity NPC100389
0.8058 Intermediate Similarity NPC212770
0.8056 Intermediate Similarity NPC139699
0.8056 Intermediate Similarity NPC114659
0.8043 Intermediate Similarity NPC172818
0.8043 Intermediate Similarity NPC199459
0.8043 Intermediate Similarity NPC242028
0.8043 Intermediate Similarity NPC186418
0.8043 Intermediate Similarity NPC203230
0.8043 Intermediate Similarity NPC52277
0.8043 Intermediate Similarity NPC166180
0.8043 Intermediate Similarity NPC475628
0.8043 Intermediate Similarity NPC25695
0.8043 Intermediate Similarity NPC177035
0.8043 Intermediate Similarity NPC103409
0.8031 Intermediate Similarity NPC9248
0.8029 Intermediate Similarity NPC107478
0.8015 Intermediate Similarity NPC470270
0.8014 Intermediate Similarity NPC469559
0.8014 Intermediate Similarity NPC139976
0.8014 Intermediate Similarity NPC246947
0.8014 Intermediate Similarity NPC128337
0.8014 Intermediate Similarity NPC230718
0.8014 Intermediate Similarity NPC60249
0.8014 Intermediate Similarity NPC49542
0.8014 Intermediate Similarity NPC5253
0.8014 Intermediate Similarity NPC189115
0.8014 Intermediate Similarity NPC84207
0.8 Intermediate Similarity NPC55608
0.8 Intermediate Similarity NPC11724
0.8 Intermediate Similarity NPC210478
0.8 Intermediate Similarity NPC106944
0.7986 Intermediate Similarity NPC134260
0.7986 Intermediate Similarity NPC304152
0.7986 Intermediate Similarity NPC65530
0.7986 Intermediate Similarity NPC59324
0.7971 Intermediate Similarity NPC185778
0.7969 Intermediate Similarity NPC228907
0.7958 Intermediate Similarity NPC185307
0.7958 Intermediate Similarity NPC473044
0.7958 Intermediate Similarity NPC469367
0.7958 Intermediate Similarity NPC116922
0.7958 Intermediate Similarity NPC470950
0.7958 Intermediate Similarity NPC46092
0.7956 Intermediate Similarity NPC215037
0.7955 Intermediate Similarity NPC109822
0.7955 Intermediate Similarity NPC94276
0.7951 Intermediate Similarity NPC251306
0.7943 Intermediate Similarity NPC469661
0.7943 Intermediate Similarity NPC273932
0.7943 Intermediate Similarity NPC89686
0.7943 Intermediate Similarity NPC257095
0.7939 Intermediate Similarity NPC71090
0.7939 Intermediate Similarity NPC52097
0.7934 Intermediate Similarity NPC37714
0.7934 Intermediate Similarity NPC152384
0.7926 Intermediate Similarity NPC86030
0.7926 Intermediate Similarity NPC5851
0.7923 Intermediate Similarity NPC160854
0.7923 Intermediate Similarity NPC201402
0.7923 Intermediate Similarity NPC469703
0.7923 Intermediate Similarity NPC469704
0.7923 Intermediate Similarity NPC476872
0.792 Intermediate Similarity NPC115379
0.7914 Intermediate Similarity NPC157554
0.7914 Intermediate Similarity NPC469383
0.7914 Intermediate Similarity NPC104167
0.791 Intermediate Similarity NPC111247
0.791 Intermediate Similarity NPC118787
0.791 Intermediate Similarity NPC147821
0.791 Intermediate Similarity NPC41706
0.791 Intermediate Similarity NPC163332
0.791 Intermediate Similarity NPC183181
0.791 Intermediate Similarity NPC319625
0.791 Intermediate Similarity NPC292056
0.7907 Intermediate Similarity NPC135961
0.7902 Intermediate Similarity NPC79429
0.7902 Intermediate Similarity NPC471063
0.7902 Intermediate Similarity NPC129417
0.7902 Intermediate Similarity NPC217635
0.7902 Intermediate Similarity NPC25292
0.7902 Intermediate Similarity NPC471667
0.7902 Intermediate Similarity NPC283995
0.7902 Intermediate Similarity NPC473045
0.7902 Intermediate Similarity NPC470235
0.7902 Intermediate Similarity NPC177597
0.7902 Intermediate Similarity NPC225445
0.7899 Intermediate Similarity NPC87696
0.7895 Intermediate Similarity NPC207179
0.7895 Intermediate Similarity NPC278552
0.7895 Intermediate Similarity NPC167571
0.7887 Intermediate Similarity NPC157816
0.7887 Intermediate Similarity NPC472353

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC198798 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
0.872 High Similarity NPD1091 Approved
0.7886 Intermediate Similarity NPD2684 Approved
0.7872 Intermediate Similarity NPD2424 Discontinued
0.7805 Intermediate Similarity NPD290 Approved
0.7778 Intermediate Similarity NPD7843 Approved
0.7744 Intermediate Similarity NPD3685 Discontinued
0.7655 Intermediate Similarity NPD5058 Phase 3
0.7638 Intermediate Similarity NPD821 Approved
0.7597 Intermediate Similarity NPD7157 Approved
0.7536 Intermediate Similarity NPD3180 Approved
0.7536 Intermediate Similarity NPD3179 Approved
0.7534 Intermediate Similarity NPD5756 Phase 2
0.7519 Intermediate Similarity NPD3847 Discontinued
0.75 Intermediate Similarity NPD1357 Approved
0.75 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1613 Approved
0.7465 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7465 Intermediate Similarity NPD4538 Approved
0.7465 Intermediate Similarity NPD4536 Approved
0.7463 Intermediate Similarity NPD3705 Approved
0.7448 Intermediate Similarity NPD1652 Phase 2
0.7448 Intermediate Similarity NPD6674 Discontinued
0.7424 Intermediate Similarity NPD1182 Approved
0.741 Intermediate Similarity NPD3027 Phase 3
0.7402 Intermediate Similarity NPD556 Approved
0.74 Intermediate Similarity NPD1653 Approved
0.7372 Intermediate Similarity NPD1817 Approved
0.7372 Intermediate Similarity NPD1820 Approved
0.7372 Intermediate Similarity NPD1819 Approved
0.7372 Intermediate Similarity NPD1818 Approved
0.731 Intermediate Similarity NPD1375 Discontinued
0.731 Intermediate Similarity NPD7266 Discontinued
0.7305 Intermediate Similarity NPD6233 Phase 2
0.7299 Intermediate Similarity NPD8651 Approved
0.7297 Intermediate Similarity NPD5295 Discontinued
0.7293 Intermediate Similarity NPD1548 Phase 1
0.7292 Intermediate Similarity NPD5960 Phase 3
0.7292 Intermediate Similarity NPD5588 Approved
0.7284 Intermediate Similarity NPD7007 Discovery
0.7279 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD4110 Phase 3
0.7279 Intermediate Similarity NPD1840 Phase 2
0.7273 Intermediate Similarity NPD8455 Phase 2
0.7258 Intermediate Similarity NPD291 Approved
0.7244 Intermediate Similarity NPD1358 Approved
0.723 Intermediate Similarity NPD2677 Approved
0.7222 Intermediate Similarity NPD7097 Phase 1
0.7214 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD4908 Phase 1
0.7211 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD5289 Phase 2
0.7208 Intermediate Similarity NPD4433 Discontinued
0.7206 Intermediate Similarity NPD1610 Phase 2
0.7185 Intermediate Similarity NPD6516 Phase 2
0.7185 Intermediate Similarity NPD5846 Approved
0.7183 Intermediate Similarity NPD1423 Approved
0.7172 Intermediate Similarity NPD4108 Discontinued
0.7172 Intermediate Similarity NPD3152 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD968 Approved
0.7163 Intermediate Similarity NPD3165 Approved
0.7163 Intermediate Similarity NPD3167 Approved
0.7163 Intermediate Similarity NPD3164 Approved
0.7163 Intermediate Similarity NPD3166 Approved
0.7153 Intermediate Similarity NPD2231 Phase 2
0.7153 Intermediate Similarity NPD2235 Phase 2
0.7143 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2861 Phase 2
0.7134 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD1794 Approved
0.7115 Intermediate Similarity NPD2415 Discontinued
0.7113 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD6798 Discontinued
0.7101 Intermediate Similarity NPD6582 Phase 2
0.7101 Intermediate Similarity NPD6583 Phase 3
0.7086 Intermediate Similarity NPD3536 Discontinued
0.7086 Intermediate Similarity NPD3985 Discontinued
0.7083 Intermediate Similarity NPD9365 Approved
0.708 Intermediate Similarity NPD776 Approved
0.708 Intermediate Similarity NPD422 Phase 1
0.7071 Intermediate Similarity NPD3691 Phase 2
0.7071 Intermediate Similarity NPD3690 Phase 2
0.7071 Intermediate Similarity NPD558 Phase 2
0.7063 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD4062 Phase 3
0.7059 Intermediate Similarity NPD5125 Phase 3
0.7059 Intermediate Similarity NPD5126 Approved
0.7047 Intermediate Similarity NPD4628 Phase 3
0.7034 Intermediate Similarity NPD3052 Approved
0.7034 Intermediate Similarity NPD3054 Approved
0.7023 Intermediate Similarity NPD228 Approved
0.702 Intermediate Similarity NPD1774 Approved
0.7015 Intermediate Similarity NPD3596 Phase 2
0.7014 Intermediate Similarity NPD1558 Phase 1
0.7007 Intermediate Similarity NPD2240 Approved
0.7007 Intermediate Similarity NPD2239 Approved
0.6993 Remote Similarity NPD1048 Approved
0.698 Remote Similarity NPD4236 Phase 3
0.698 Remote Similarity NPD4237 Approved
0.6972 Remote Similarity NPD682 Discontinued
0.697 Remote Similarity NPD5535 Approved
0.6966 Remote Similarity NPD5124 Phase 1
0.6966 Remote Similarity NPD6355 Discontinued
0.6966 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6966 Remote Similarity NPD4340 Discontinued
0.6959 Remote Similarity NPD521 Clinical (unspecified phase)
0.695 Remote Similarity NPD6584 Phase 3
0.6948 Remote Similarity NPD3687 Approved
0.6948 Remote Similarity NPD3686 Approved
0.6944 Remote Similarity NPD4870 Approved
0.6943 Remote Similarity NPD2977 Approved
0.6943 Remote Similarity NPD2978 Approved
0.694 Remote Similarity NPD191 Approved
0.694 Remote Similarity NPD6671 Approved
0.6933 Remote Similarity NPD4535 Phase 3
0.6923 Remote Similarity NPD5163 Phase 2
0.6918 Remote Similarity NPD6653 Approved
0.6912 Remote Similarity NPD6581 Approved
0.6912 Remote Similarity NPD6580 Approved
0.6908 Remote Similarity NPD7213 Phase 3
0.6908 Remote Similarity NPD7212 Phase 2
0.6899 Remote Similarity NPD3134 Approved
0.6897 Remote Similarity NPD2238 Phase 2
0.6897 Remote Similarity NPD3597 Clinical (unspecified phase)
0.6897 Remote Similarity NPD4060 Phase 1
0.6892 Remote Similarity NPD6032 Approved
0.6875 Remote Similarity NPD3056 Clinical (unspecified phase)
0.6867 Remote Similarity NPD4162 Approved
0.6861 Remote Similarity NPD6830 Clinical (unspecified phase)
0.6849 Remote Similarity NPD5735 Approved
0.6848 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7054 Approved
0.6846 Remote Similarity NPD5763 Approved
0.6846 Remote Similarity NPD5762 Approved
0.6842 Remote Similarity NPD3122 Phase 3
0.6835 Remote Similarity NPD5773 Approved
0.6835 Remote Similarity NPD5772 Approved
0.6831 Remote Similarity NPD5647 Approved
0.6828 Remote Similarity NPD3163 Approved
0.6828 Remote Similarity NPD3162 Approved
0.6824 Remote Similarity NPD7033 Discontinued
0.6818 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6815 Remote Similarity NPD2557 Approved
0.6815 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6812 Remote Similarity NPD2668 Approved
0.6812 Remote Similarity NPD2667 Approved
0.6812 Remote Similarity NPD1778 Approved
0.6807 Remote Similarity NPD7472 Approved
0.6807 Remote Similarity NPD7074 Phase 3
0.6806 Remote Similarity NPD7095 Approved
0.6803 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6797 Remote Similarity NPD2752 Clinical (unspecified phase)
0.6791 Remote Similarity NPD1241 Discontinued
0.6791 Remote Similarity NPD5283 Phase 1
0.6788 Remote Similarity NPD1894 Discontinued
0.6779 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6767 Remote Similarity NPD969 Suspended
0.6766 Remote Similarity NPD6797 Phase 2
0.6763 Remote Similarity NPD3496 Discontinued
0.6761 Remote Similarity NPD3827 Clinical (unspecified phase)
0.6761 Remote Similarity NPD6362 Approved
0.6759 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6755 Remote Similarity NPD3060 Approved
0.6755 Remote Similarity NPD5062 Approved
0.6755 Remote Similarity NPD5061 Approved
0.6753 Remote Similarity NPD7447 Phase 1
0.6753 Remote Similarity NPD4123 Phase 3
0.6753 Remote Similarity NPD6419 Discontinued
0.6752 Remote Similarity NPD4972 Discontinued
0.6739 Remote Similarity NPD6382 Discontinued
0.6738 Remote Similarity NPD2429 Approved
0.6738 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6738 Remote Similarity NPD4749 Approved
0.6738 Remote Similarity NPD2983 Phase 2
0.6738 Remote Similarity NPD2982 Phase 2
0.6738 Remote Similarity NPD2428 Approved
0.6736 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6736 Remote Similarity NPD2614 Approved
0.6732 Remote Similarity NPD6667 Approved
0.6732 Remote Similarity NPD6666 Approved
0.6728 Remote Similarity NPD2041 Clinical (unspecified phase)
0.6728 Remote Similarity NPD2042 Clinical (unspecified phase)
0.6726 Remote Similarity NPD6559 Discontinued
0.6726 Remote Similarity NPD7251 Discontinued
0.6718 Remote Similarity NPD9552 Approved
0.6716 Remote Similarity NPD1138 Approved
0.6715 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6714 Remote Similarity NPD1535 Discovery
0.6712 Remote Similarity NPD5745 Approved
0.6712 Remote Similarity NPD3058 Clinical (unspecified phase)
0.6711 Remote Similarity NPD2154 Approved
0.6711 Remote Similarity NPD2155 Approved
0.6711 Remote Similarity NPD2156 Approved
0.671 Remote Similarity NPD7527 Clinical (unspecified phase)
0.671 Remote Similarity NPD52 Approved
0.671 Remote Similarity NPD7526 Approved
0.6709 Remote Similarity NPD6072 Discontinued
0.6708 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6691 Remote Similarity NPD2556 Approved

Structure

External Identifiers

PubChem CID   129556
ChEMBL   CHEMBL446981
ZINC  

Physicochemical Properties

Molecular Weight:  279.11
ALogP:  -1.6377
MLogP:  2.34
XLogP:  0.768
# Rotatable Bonds:  7
Polar Surface Area:  102.94
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  20

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