Natural Product: NPC276195

Natural Product ID:  NPC276195
Common Name:   3,4,5-Trimethoxyphenyl-Beta-D-Glucopyranoside
IUPAC Name:   (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
Synonyms:  
Molecular Formula:   C15H22O9
Standard InCHIKey:  NBLLRWANAFOKON-ZHZXCYKASA-N
Standard InCHI:  InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3/t10-,11-,12+,13-,15-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2cc(OC)c(c(c2)OC)OC)[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
NPO32690 salsola tetrandra Species Chenopodiaceae Eukaryota PMID[16989538]
NPO11646 Morella pensylvanica Species Myricaceae Eukaryota UNPD*
NPO19572 Pellacalyx axillaris Species Rhizophoraceae Eukaryota UNPD*
NPO16325 Sideritis dasygnaphala Species Lamiaceae Eukaryota UNPD*
NPO2201 Orthocaulis attenuatus Species Anastrophyllaceae Eukaryota UNPD*
NPO17630 Helenium integrifolium Species Asteraceae Eukaryota UNPD*
NPO18169 Creosphaeria sassafras Species Xylariaceae Eukaryota UNPD*
NPO26828 Barbarea verna Species Brassicaceae Eukaryota UNPD*
NPO29450 Streptomyces parvisporogenes Species Streptomycetaceae Bacteria UNPD*
NPO14233 Ormosia dasycarpa Species Limoniidae Eukaryota UNPD*
NPO15802 Papaver pseudocanescens Species Papaveraceae Eukaryota UNPD*
NPO5455 Euploca racemosa Species Heliotropiaceae Eukaryota UNPD*
NPO9906 Zephyranthes flava Species Amaryllidaceae Eukaryota UNPD*
NPO26183 Scabiosa pyrenaica Species Caprifoliaceae Eukaryota UNPD*
NPO18424 Selinum libanotis Species Apiaceae Eukaryota UNPD*
NPO1783 Euonymus fortunei Species Celastraceae Eukaryota UNPD*
NPO18533 Delisea elegans Species Bonnemaisoniaceae Eukaryota UNPD*
NPO12870 Curcuma aeruginosa Species Zingiberaceae Eukaryota UNPD*
NPO25532 Blitum virgatum Species Chenopodiaceae Eukaryota UNPD*
NPO19769 Boschniakia rossica Species Orobanchaceae Eukaryota UNPD*
NPO15127 Senecio congestus Species Asteraceae Eukaryota UNPD*
NPO13737 Tephroseris kirilowii Species Asteraceae Eukaryota UNPD*
NPO18927 Clinacanthus nutans Species Acanthaceae Eukaryota UNPD*
NPO968 Artemisia pectinata Species Asteraceae Eukaryota UNPD*
NPO11164 Renealmia alpinia Species Zingiberaceae Eukaryota UNPD*
NPO11081 Baccharis grandicapitulata Species Asteraceae Eukaryota UNPD*
NPO12914 Sarcophyton flexuosum Species Alcyoniidae Eukaryota UNPD*
NPO14559 Acer saccharum Species Sapindaceae Eukaryota bark PMID[22032697]
NPO17230 Psidium acutangulum Species Myrtaceae Eukaryota UNPD*
NPO18262 Aspergillus microcysticus Species Aspergillaceae Eukaryota UNPD*
NPO29531 Lupinus cosentinii Species Fabaceae Eukaryota UNPD*
NPO4679 Hedysarum gmelini Species Fabaceae Eukaryota UNPD*
NPO18348 Crotalaria stolzii Species Fabaceae Eukaryota UNPD*
NPO17114 Streptomyces melanogenes Species Streptomycetaceae Bacteria UNPD*
NPO16981 Gutierrezia dracunculoides Species Asteraceae Eukaryota UNPD*
NPO25370 Botrychium ternatum Species Ophioglossaceae Eukaryota UNPD*
NPO19170 Lasianthaea podocephala Species Asteraceae Eukaryota UNPD*
NPO19436 Annona cherimola Species Annonaceae Eukaryota UNPD*
NPO19371 Costasiella ocellifera Species Costasiellidae Eukaryota UNPD*
NPO17354 Micromonospora echinospora Species Micromonosporaceae Bacteria UNPD*
NPO19083 Alstonia angustiloba Species Apocynaceae Eukaryota UNPD*
NPO17759 Rhododendron mucronulatum Species Ericaceae Eukaryota UNPD*
NPO17499 Bursera kerberi Species Burseraceae Eukaryota UNPD*
NPO18048 Phlomis crinita Species Lamiaceae Eukaryota UNPD*
NPO17296 Beesia calthifolia Species Ranunculaceae Eukaryota UNPD*
NPO8172 Emericellopsis minima Species NA Eukaryota UNPD*
NPO19709 Pseudocyphellaria australiensis Species Lobariaceae Eukaryota UNPD*
NPO13358 Piper brachystachyum Species Piperaceae Eukaryota UNPD*
NPO24402.1 Coffea liberica var. dewevrei Varieties Rubiaceae Eukaryota UNPD*
NPO18676 Clerodendrum trichotomum Species Lamiaceae Eukaryota UNPD*
NPO19242 Eucalyptus albens Species Myrtaceae Eukaryota UNPD*
NPO16135 Pestalotiopsis oenotherae Species Sporocadaceae Eukaryota UNPD*
NPO12223 Stellaria media Species Caryophyllaceae Eukaryota UNPD*
NPO11967 Delphinium giraldii Species Ranunculaceae Eukaryota UNPD*
NPO18602 Melampodium leucanthum Species Asteraceae Eukaryota UNPD*
NPO25482 Phyllogeiton zeyheri NA NA NA UNPD*
NPO18765 Juniperus scopulorum Species Cupressaceae Eukaryota UNPD*
NPO23780 Psoroma crassum Species Pannariaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT176 Organism Artemia salina Artemia salina ED50 = 28.9 nM 16989538
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MBC > 700 ug/ml 16989538
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 500 ug/ml 16989538
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 700 ug/ml 16989538
NPT729 Organism Micrococcus luteus Micrococcus luteus MBC > 700 ug/ml 16989538
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MBC > 700 ug/ml 16989538
NPT19 Organism Escherichia coli Escherichia coli MIC > 700 ug/ml 16989538
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 600 ug/ml 16989538
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 700 ug/ml 16989538
NPT393 Cell Line HCT-116 Homo sapiens IC50 < 5 ug/ml 22032697
NPT492 Cell Line Caco-2 Homo sapiens IC50 < 5 ug/ml 22032697
NPT2 Others Unspecified IC50 < 5 ug/ml 22032697
NPT1 Others Radical scavenging activity ED50 > 0.1 nM 23540981

  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 NPC276195 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
0.9826 High Similarity NPC152722
0.9741 High Similarity NPC192810
0.9741 High Similarity NPC217854
0.9658 High Similarity NPC25817
0.9658 High Similarity NPC221090
0.9496 High Similarity NPC189589
0.9496 High Similarity NPC469622
0.9496 High Similarity NPC171533
0.9496 High Similarity NPC298845
0.9417 High Similarity NPC37074
0.9339 High Similarity NPC247146
0.9256 High Similarity NPC469621
0.9187 High Similarity NPC60756
0.9187 High Similarity NPC208769
0.9113 High Similarity NPC287780
0.906 High Similarity NPC228907
0.8974 High Similarity NPC9248
0.8968 High Similarity NPC60982
0.8879 High Similarity NPC142319
0.876 High Similarity NPC104167
0.874 High Similarity NPC299144
0.874 High Similarity NPC162093
0.8672 High Similarity NPC215833
0.8672 High Similarity NPC69513
0.8672 High Similarity NPC49074
0.8605 High Similarity NPC251981
0.8605 High Similarity NPC13745
0.8605 High Similarity NPC48863
0.8538 High Similarity NPC470236
0.848 Intermediate Similarity NPC12308
0.8473 Intermediate Similarity NPC164857
0.8455 Intermediate Similarity NPC57751
0.845 Intermediate Similarity NPC470270
0.8425 Intermediate Similarity NPC302378
0.8385 Intermediate Similarity NPC132895
0.8359 Intermediate Similarity NPC248355
0.8359 Intermediate Similarity NPC166040
0.8348 Intermediate Similarity NPC232654
0.8346 Intermediate Similarity NPC212770
0.8346 Intermediate Similarity NPC98777
0.8321 Intermediate Similarity NPC107478
0.8295 Intermediate Similarity NPC472024
0.8295 Intermediate Similarity NPC80600
0.8284 Intermediate Similarity NPC210478
0.8271 Intermediate Similarity NPC59324
0.8271 Intermediate Similarity NPC65530
0.8235 Intermediate Similarity NPC252169
0.8231 Intermediate Similarity NPC166168
0.822 Intermediate Similarity NPC247871
0.8217 Intermediate Similarity NPC270849
0.8217 Intermediate Similarity NPC26653
0.8211 Intermediate Similarity NPC214289
0.8197 Intermediate Similarity NPC151617
0.8197 Intermediate Similarity NPC76915
0.8195 Intermediate Similarity NPC203230
0.8195 Intermediate Similarity NPC242028
0.8162 Intermediate Similarity NPC189115
0.8162 Intermediate Similarity NPC475084
0.8162 Intermediate Similarity NPC469559
0.816 Intermediate Similarity NPC226712
0.8154 Intermediate Similarity NPC262606
0.8145 Intermediate Similarity NPC60589
0.8145 Intermediate Similarity NPC469708
0.814 Intermediate Similarity NPC40377
0.8134 Intermediate Similarity NPC195196
0.8129 Intermediate Similarity NPC227902
0.8125 Intermediate Similarity NPC233559
0.812 Intermediate Similarity NPC124712
0.8106 Intermediate Similarity NPC294166
0.8106 Intermediate Similarity NPC25821
0.8106 Intermediate Similarity NPC115022
0.8095 Intermediate Similarity NPC126216
0.8095 Intermediate Similarity NPC105147
0.8095 Intermediate Similarity NPC228875
0.8092 Intermediate Similarity NPC469698
0.8092 Intermediate Similarity NPC9912
0.8092 Intermediate Similarity NPC473412
0.8088 Intermediate Similarity NPC469661
0.808 Intermediate Similarity NPC269242
0.808 Intermediate Similarity NPC469412
0.808 Intermediate Similarity NPC205850
0.808 Intermediate Similarity NPC198734
0.8077 Intermediate Similarity NPC307110
0.8077 Intermediate Similarity NPC218003
0.8071 Intermediate Similarity NPC96294
0.8071 Intermediate Similarity NPC478237
0.8071 Intermediate Similarity NPC175976
0.8062 Intermediate Similarity NPC140750
0.806 Intermediate Similarity NPC172818
0.806 Intermediate Similarity NPC25695
0.8045 Intermediate Similarity NPC187194
0.8045 Intermediate Similarity NPC87696
0.8043 Intermediate Similarity NPC25292
0.8043 Intermediate Similarity NPC473045
0.803 Intermediate Similarity NPC26080
0.803 Intermediate Similarity NPC85799
0.803 Intermediate Similarity NPC165686
0.803 Intermediate Similarity NPC303422
0.8015 Intermediate Similarity NPC474491
0.8 Intermediate Similarity NPC198487
0.7986 Intermediate Similarity NPC161700
0.7986 Intermediate Similarity NPC277867
0.7986 Intermediate Similarity NPC475096
0.7985 Intermediate Similarity NPC238243
0.7985 Intermediate Similarity NPC55040
0.7985 Intermediate Similarity NPC185778
0.7971 Intermediate Similarity NPC473044
0.7969 Intermediate Similarity NPC287429
0.7958 Intermediate Similarity NPC114740
0.7955 Intermediate Similarity NPC121376
0.7955 Intermediate Similarity NPC475067
0.7955 Intermediate Similarity NPC65942
0.7955 Intermediate Similarity NPC248307
0.7949 Intermediate Similarity NPC307875
0.7939 Intermediate Similarity NPC97326
0.7929 Intermediate Similarity NPC190714
0.7929 Intermediate Similarity NPC99515
0.7929 Intermediate Similarity NPC125755
0.7926 Intermediate Similarity NPC197723
0.7926 Intermediate Similarity NPC138350
0.7926 Intermediate Similarity NPC37468
0.7926 Intermediate Similarity NPC165482
0.7926 Intermediate Similarity NPC40664
0.7926 Intermediate Similarity NPC3293
0.791 Intermediate Similarity NPC188555
0.791 Intermediate Similarity NPC476411
0.791 Intermediate Similarity NPC310854
0.791 Intermediate Similarity NPC130496
0.7907 Intermediate Similarity NPC470510
0.7902 Intermediate Similarity NPC213197
0.7899 Intermediate Similarity NPC5262
0.7899 Intermediate Similarity NPC472714
0.7895 Intermediate Similarity NPC252833
0.7887 Intermediate Similarity NPC212670
0.7887 Intermediate Similarity NPC313334
0.7887 Intermediate Similarity NPC206264
0.7883 Intermediate Similarity NPC226547
0.7879 Intermediate Similarity NPC469612
0.7879 Intermediate Similarity NPC470079
0.7879 Intermediate Similarity NPC469614
0.7872 Intermediate Similarity NPC39657
0.7868 Intermediate Similarity NPC138738
0.7868 Intermediate Similarity NPC87777
0.7868 Intermediate Similarity NPC470413
0.7868 Intermediate Similarity NPC262328
0.7868 Intermediate Similarity NPC124149
0.7846 Intermediate Similarity NPC110677
0.7846 Intermediate Similarity NPC473960
0.7842 Intermediate Similarity NPC37793
0.7836 Intermediate Similarity NPC6836
0.7832 Intermediate Similarity NPC238140
0.782 Intermediate Similarity NPC469613
0.782 Intermediate Similarity NPC469625
0.782 Intermediate Similarity NPC30043
0.7817 Intermediate Similarity NPC270751
0.7817 Intermediate Similarity NPC248132
0.7817 Intermediate Similarity NPC93924
0.7817 Intermediate Similarity NPC130449
0.7812 Intermediate Similarity NPC476142
0.781 Intermediate Similarity NPC100389
0.7803 Intermediate Similarity NPC295970
0.7803 Intermediate Similarity NPC218856
0.7803 Intermediate Similarity NPC202582
0.7803 Intermediate Similarity NPC3439
0.7803 Intermediate Similarity NPC210623
0.7803 Intermediate Similarity NPC273295
0.7803 Intermediate Similarity NPC470258
0.7803 Intermediate Similarity NPC285339
0.7803 Intermediate Similarity NPC190629
0.7803 Intermediate Similarity NPC226788
0.7803 Intermediate Similarity NPC222004
0.7794 Intermediate Similarity NPC186418
0.7794 Intermediate Similarity NPC103409
0.7793 Intermediate Similarity NPC78809
0.7786 Intermediate Similarity NPC297342
0.7786 Intermediate Similarity NPC138227
0.7786 Intermediate Similarity NPC76176
0.7786 Intermediate Similarity NPC473046
0.7786 Intermediate Similarity NPC474119
0.7786 Intermediate Similarity NPC472712
0.7786 Intermediate Similarity NPC198798
0.7786 Intermediate Similarity NPC216836
0.7786 Intermediate Similarity NPC472713
0.7786 Intermediate Similarity NPC168579
0.7786 Intermediate Similarity NPC118385
0.7786 Intermediate Similarity NPC469313
0.7786 Intermediate Similarity NPC187774
0.7778 Intermediate Similarity NPC170694
0.7778 Intermediate Similarity NPC470881
0.7778 Intermediate Similarity NPC35731
0.7762 Intermediate Similarity NPC51328
0.7762 Intermediate Similarity NPC35877
0.7762 Intermediate Similarity NPC55715
0.7762 Intermediate Similarity NPC286235
0.7762 Intermediate Similarity NPC106138
0.7762 Intermediate Similarity NPC55158
0.7762 Intermediate Similarity NPC95392
0.7761 Intermediate Similarity NPC16208
0.7761 Intermediate Similarity NPC160991
0.7761 Intermediate Similarity NPC7903

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC276195 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
0.816 Intermediate Similarity NPD1091 Approved
0.8158 Intermediate Similarity NPD291 Approved
0.7983 Intermediate Similarity NPD556 Approved
0.7887 Intermediate Similarity NPD1653 Approved
0.7619 Intermediate Similarity NPD1408 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD3454 Phase 3
0.7407 Intermediate Similarity NPD3027 Phase 3
0.7372 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD1613 Approved
0.7368 Intermediate Similarity NPD9365 Approved
0.7287 Intermediate Similarity NPD7534 Approved
0.7287 Intermediate Similarity NPD7533 Approved
0.7206 Intermediate Similarity NPD3537 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD9296 Approved
0.7132 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD1357 Approved
0.7097 Intermediate Similarity NPD290 Approved
0.7083 Intermediate Similarity NPD6674 Discontinued
0.708 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD3705 Approved
0.6966 Remote Similarity NPD1652 Phase 2
0.6963 Remote Similarity NPD2983 Phase 2
0.6963 Remote Similarity NPD2982 Phase 2
0.696 Remote Similarity NPD9552 Approved
0.6944 Remote Similarity NPD521 Clinical (unspecified phase)
0.6937 Remote Similarity NPD7054 Approved
0.6923 Remote Similarity NPD191 Approved
0.6897 Remote Similarity NPD9295 Approved
0.6894 Remote Similarity NPD7472 Approved
0.6894 Remote Similarity NPD7074 Phase 3
0.6889 Remote Similarity NPD2981 Phase 2
0.6871 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6863 Remote Similarity NPD37 Approved
0.6842 Remote Similarity NPD1798 Approved
0.6842 Remote Similarity NPD1797 Approved
0.6839 Remote Similarity NPD4965 Approved
0.6839 Remote Similarity NPD4967 Phase 2
0.6839 Remote Similarity NPD4966 Approved
0.6828 Remote Similarity NPD7266 Discontinued
0.6822 Remote Similarity NPD7843 Approved
0.6795 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6772 Remote Similarity NPD7199 Phase 2
0.6772 Remote Similarity NPD2684 Approved
0.677 Remote Similarity NPD3818 Discontinued
0.677 Remote Similarity NPD7228 Approved
0.6768 Remote Similarity NPD7808 Phase 3
0.6767 Remote Similarity NPD1548 Phase 1
0.6763 Remote Similarity NPD3018 Phase 2
0.6752 Remote Similarity NPD6234 Discontinued
0.6748 Remote Similarity NPD6797 Phase 2
0.6746 Remote Similarity NPD968 Approved
0.672 Remote Similarity NPD9501 Approved
0.6714 Remote Similarity NPD4908 Phase 1
0.6711 Remote Similarity NPD5058 Phase 3
0.6707 Remote Similarity NPD7251 Discontinued
0.6692 Remote Similarity NPD1102 Approved
0.6692 Remote Similarity NPD1103 Approved
0.6691 Remote Similarity NPD1610 Phase 2
0.6667 Remote Similarity NPD7157 Approved
0.6667 Remote Similarity NPD9094 Approved
0.6645 Remote Similarity NPD3382 Approved
0.6645 Remote Similarity NPD3383 Approved
0.6645 Remote Similarity NPD3384 Approved
0.662 Remote Similarity NPD6859 Clinical (unspecified phase)
0.662 Remote Similarity NPD4907 Clinical (unspecified phase)
0.662 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6619 Remote Similarity NPD3827 Clinical (unspecified phase)
0.6606 Remote Similarity NPD7240 Approved
0.6594 Remote Similarity NPD4749 Approved
0.6584 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6573 Remote Similarity NPD6233 Phase 2
0.6569 Remote Similarity NPD422 Phase 1
0.6568 Remote Similarity NPD6842 Approved
0.6568 Remote Similarity NPD6843 Phase 3
0.6568 Remote Similarity NPD6841 Approved
0.6538 Remote Similarity NPD2671 Approved
0.6538 Remote Similarity NPD1934 Approved
0.6538 Remote Similarity NPD2673 Approved
0.6525 Remote Similarity NPD2250 Discontinued
0.6525 Remote Similarity NPD5266 Clinical (unspecified phase)
0.6524 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6519 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6507 Remote Similarity NPD4538 Approved
0.6507 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6507 Remote Similarity NPD4536 Approved
0.6497 Remote Similarity NPD8455 Phase 2
0.6497 Remote Similarity NPD2801 Approved
0.6489 Remote Similarity NPD228 Approved
0.6486 Remote Similarity NPD1375 Discontinued
0.6483 Remote Similarity NPD5124 Phase 1
0.6483 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6478 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6456 Remote Similarity NPD3817 Phase 2
0.6456 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6447 Remote Similarity NPD1774 Approved
0.6442 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6166 Phase 2
0.6442 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6424 Remote Similarity NPD5844 Phase 1
0.642 Remote Similarity NPD3787 Discontinued
0.6418 Remote Similarity NPD6671 Approved
0.641 Remote Similarity NPD4678 Approved
0.641 Remote Similarity NPD4675 Approved
0.6408 Remote Similarity NPD2861 Phase 2
0.6407 Remote Similarity NPD6559 Discontinued
0.6395 Remote Similarity NPD7097 Phase 1
0.6392 Remote Similarity NPD2393 Clinical (unspecified phase)
0.637 Remote Similarity NPD1933 Approved
0.6357 Remote Similarity NPD3685 Discontinued
0.6352 Remote Similarity NPD5402 Approved
0.6351 Remote Similarity NPD5960 Phase 3
0.6351 Remote Similarity NPD5588 Approved
0.6348 Remote Similarity NPD9093 Approved
0.6346 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6343 Remote Similarity NPD9299 Approved
0.6338 Remote Similarity NPD5647 Approved
0.6338 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6327 Remote Similarity NPD2224 Approved
0.6327 Remote Similarity NPD2223 Approved
0.6323 Remote Similarity NPD5403 Approved
0.6323 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6319 Remote Similarity NPD4625 Phase 3
0.6319 Remote Similarity NPD3179 Approved
0.6319 Remote Similarity NPD3180 Approved
0.6312 Remote Similarity NPD8651 Approved
0.6308 Remote Similarity NPD1358 Approved
0.6304 Remote Similarity NPD5126 Approved
0.6304 Remote Similarity NPD5125 Phase 3
0.6299 Remote Similarity NPD5401 Approved
0.6293 Remote Similarity NPD9089 Approved
0.6291 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6269 Remote Similarity NPD5283 Phase 1
0.6268 Remote Similarity NPD6362 Approved
0.6267 Remote Similarity NPD3540 Phase 1
0.6259 Remote Similarity NPD3496 Discontinued
0.6259 Remote Similarity NPD155 Clinical (unspecified phase)
0.6259 Remote Similarity NPD230 Phase 1
0.6258 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6241 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6234 Remote Similarity NPD6799 Approved
0.6234 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6233 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6225 Remote Similarity NPD2424 Discontinued
0.6224 Remote Similarity NPD1469 Clinical (unspecified phase)
0.6216 Remote Similarity NPD6653 Approved
0.6214 Remote Similarity NPD776 Approved
0.6213 Remote Similarity NPD7685 Pre-registration
0.6211 Remote Similarity NPD3882 Suspended
0.6209 Remote Similarity NPD2677 Approved
0.6209 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6209 Remote Similarity NPD2219 Phase 1
0.6203 Remote Similarity NPD4380 Phase 2
0.62 Remote Similarity NPD3539 Phase 1
0.6196 Remote Similarity NPD5494 Approved
0.6194 Remote Similarity NPD821 Approved
0.619 Remote Similarity NPD1558 Phase 1
0.6188 Remote Similarity NPD2977 Approved
0.6188 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6188 Remote Similarity NPD2978 Approved
0.6187 Remote Similarity NPD5846 Approved
0.6187 Remote Similarity NPD1778 Approved
0.6187 Remote Similarity NPD6516 Phase 2
0.6184 Remote Similarity NPD4236 Phase 3
0.6184 Remote Similarity NPD4237 Approved
0.6178 Remote Similarity NPD3686 Approved
0.6178 Remote Similarity NPD3687 Approved
0.6173 Remote Similarity NPD7075 Discontinued
0.6168 Remote Similarity NPD3751 Discontinued
0.6164 Remote Similarity NPD1048 Approved
0.6164 Remote Similarity NPD6798 Discontinued
0.6159 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6159 Remote Similarity NPD5762 Approved
0.6159 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6159 Remote Similarity NPD5763 Approved
0.6154 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6154 Remote Similarity NPD9549 Phase 2
0.6154 Remote Similarity NPD2082 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6149 Remote Similarity NPD447 Suspended
0.6144 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6144 Remote Similarity NPD4628 Phase 3
0.6143 Remote Similarity NPD915 Approved
0.6139 Remote Similarity NPD4005 Discontinued
0.6133 Remote Similarity NPD7033 Discontinued
0.6129 Remote Similarity NPD4357 Discontinued
0.6129 Remote Similarity NPD7213 Phase 3
0.6129 Remote Similarity NPD1511 Approved
0.6129 Remote Similarity NPD7212 Phase 2
0.6125 Remote Similarity NPD6801 Discontinued
0.6122 Remote Similarity NPD4062 Phase 3
0.6119 Remote Similarity NPD969 Suspended
0.6118 Remote Similarity NPD1549 Phase 2
0.6104 Remote Similarity NPD6190 Approved
0.6098 Remote Similarity NPD5677 Discontinued
0.6093 Remote Similarity NPD1551 Phase 2
0.609 Remote Similarity NPD4123 Phase 3
0.6087 Remote Similarity NPD1465 Phase 2
0.6087 Remote Similarity NPD5536 Phase 2
0.6087 Remote Similarity NPD5772 Approved
0.6087 Remote Similarity NPD5773 Approved

Structure

External Identifiers

PubChem CID   636454
ChEMBL   CHEMBL469618
ZINC  

Physicochemical Properties

Molecular Weight:  346.13
ALogP:  -2.3626
MLogP:  2.12
XLogP:  -0.607
# Rotatable Bonds:  13
Polar Surface Area:  127.07
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  24

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