Natural Product: NPC12649

Natural Product ID:  NPC12649
Common Name:   5-Methoxycanthinone
IUPAC Name:  
Synonyms:   5-Methoxycanthinone
Molecular Formula:   C15H10N2O2
Standard InCHIKey:  TXEFUSAHPIYZHD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3
Canonical SMILES:  COc1cc2nccc3c2n(c1=O)c1ccccc31
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
NPO3576 Bersama swinnyi Species Melianthaceae Eukaryota UNPD*
NPO20318 Acinetobacter baumannii Species Moraxellaceae Bacteria UNPD*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota UNPD*
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota TCM_Taiwan*
NPO31211 Eurycoma sp Species Simaroubaceae Eukaryota HerDing*
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota HerDing*
NPO22888 Lophiostoma vaginatispora Species Lophiostomataceae Eukaryota UNPD*
NPO12890 Ophryosporus charua Species Asteraceae Eukaryota UNPD*
NPO8220 Russula sardonia Species Russulaceae Eukaryota UNPD*
NPO5303 Castanea crenata Species Fagaceae Eukaryota UNPD*
NPO14528 Pneumatospora obcoronata NA NA NA UNPD*
NPO8820 Lophocereus marginatus Species Cactaceae Eukaryota UNPD*
NPO2084 Acinetobacter calcoaceticus Species Moraxellaceae Bacteria UNPD*
NPO9203 Cephalonomia gallicola Species Bethylidae Eukaryota UNPD*
NPO3164 Yponomeuta malinellus Species Yponomeutidae Eukaryota UNPD*
NPO8372 Picrasma quassioides Species Simaroubaceae Eukaryota PMID[19586051]
NPO12577 Pinus glauca Species Pinaceae Eukaryota UNPD*
NPO6884 Ailanthi cortex NA NA NA TCMSP*
NPO6026 Zanthoxylum chiloperone Species Rutaceae Eukaryota PMID[16309303]
NPO12089 Trifolium alexandrinum Species Fabaceae Eukaryota UNPD*
NPO8372 Picrasma quassioides Species Simaroubaceae Eukaryota TM-MC*
NPO11432 Centrolobium tomentosum Species Fabaceae Eukaryota UNPD*
NPO15520 Dracocephalum kotschyi Species Lamiaceae Eukaryota UNPD*
NPO20997 Eurycoma sp. Species Simaroubaceae Eukaryota TCMID*
NPO1418 Boletinus paluster Species Gyrodontaceae Eukaryota UNPD*
NPO8640 Nemuaron humboldtii Species Atherospermataceae Eukaryota UNPD*
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota TCMID*
NPO15146 Myrica nana Species Myricaceae Eukaryota UNPD*
NPO10818 Carpobrotus edulis Species Aizoaceae Eukaryota UNPD*
NPO12026 Papaver radicatum Species Papaveraceae Eukaryota UNPD*
NPO14150 Solanum jamaicense Species Solanaceae Eukaryota UNPD*
NPO26718 Chelidonura fulvipunctata Species Aglajidae Eukaryota UNPD*
NPO9644 Euphorbia resinifera Species Euphorbiaceae Eukaryota UNPD*
NPO13798 Cheilanthes marantae Species Pteridaceae Eukaryota UNPD*
NPO9024 Aralidium pinnatifidum Species Torricelliaceae Eukaryota UNPD*
NPO12988 Blainvillea latifolia Species Asteraceae Eukaryota UNPD*
NPO11873 Oecophylla smaragdina Species Formicidae Eukaryota UNPD*
NPO11637 Psilostrophe cooperi Species Asteraceae Eukaryota UNPD*
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota UNPD*
NPO1641 Amycolatopsis azurea Species Pseudonocardiaceae Bacteria UNPD*
NPO11072 Geigeria schinzii Species Asteraceae Eukaryota UNPD*
NPO893 Helichrysum sutherlandii Species Asteraceae Eukaryota UNPD*
NPO13494 Prosopis kuntzei Species Fabaceae Eukaryota UNPD*
NPO14749 Lippia carviodora Species Verbenaceae Eukaryota UNPD*
NPO11084 Asplenium normale Species Aspleniaceae Eukaryota UNPD*
NPO9375 Medium grandiflorum NA NA NA UNPD*
NPO12717 Parmelia metastrigosa Species Parmeliaceae Eukaryota UNPD*
NPO12944 Sideritis tragoriganum Species Lamiaceae Eukaryota UNPD*
NPO14845 Ceratophyllum submersum Species Ceratophyllaceae Eukaryota UNPD*
NPO14280 Helichrysum angustifolium Species Asteraceae Eukaryota UNPD*
NPO6014 Goniothalamus undulatus Species Annonaceae Eukaryota UNPD*
NPO20383 Stenocereus thurberi Species Cactaceae Eukaryota UNPD*
NPO5401 Monanchora unguiculata Species Crambeidae Eukaryota UNPD*
NPO13604 Dermocybe cardinalis Species Cortinariaceae Eukaryota UNPD*
NPO3924 Penicillium alutaceum Species Aspergillaceae Eukaryota UNPD*
NPO13692 Leontice kiangnanensis Species Berberidaceae Eukaryota UNPD*
NPO2505 Pachycereus pringlei Species Cactaceae Eukaryota UNPD*
NPO11530 Heterosigma akashiwo Species Chattonellaceae Eukaryota UNPD*
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota UNPD*
NPO6626 Pteris spinulosa Species Pteridaceae Eukaryota UNPD*
NPO211 Aplysina cauliformis Species Aplysinidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC = 6300 nM 16309303
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC = 50000 nM 16309303
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC = 50000 nM 16309303
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC = 50000 nM 16309303
NPT20 Organism Candida albicans Candida albicans MIC > 200000 nM 16309303
NPT2 Others Unspecified IC50 = 5.44 ug/ml 6619885
NPT19 Organism Escherichia coli Escherichia coli IZ = 7 mm 6195312
NPT19 Organism Escherichia coli Escherichia coli IZ = 0 mm 6195312
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 0 mm 6195312
NPT1209 Organism Pseudomonas fluorescens Pseudomonas fluorescens IZ = 0 mm 6195312
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 8 mm 6195312
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 0 mm 6195312
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 8 mm 6195312
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0 mm 6195312
NPT20 Organism Candida albicans Candida albicans IZ = 12 mm 6195312
NPT20 Organism Candida albicans Candida albicans IZ = 0 mm 6195312
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 6 mm 6195312
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 0 mm 6195312
NPT1161 Cell Line CHO Cricetulus griseus Activity = 0.3 % 6195312
NPT1161 Cell Line CHO Cricetulus griseus Activity = 0 % 6195312
NPT91 Cell Line KB Homo sapiens ED50 = 2.9 ug/ml 11141127
NPT81 Cell Line A549 Homo sapiens ED50 = 3.1 ug/ml 11141127
NPT180 Cell Line HCT-8 Homo sapiens ED50 = 2.5 ug/ml 11141127
NPT308 Cell Line CAKI-1 Homo sapiens ED50 = 4.4 ug/ml 11141127
NPT83 Cell Line MCF7 Homo sapiens ED50 = 5 ug/ml 11141127
NPT147 Cell Line SK-MEL-2 Homo sapiens ED50 = 17 ug/ml 11141127
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 58.3 % 19586051
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 36.4 % 19586051
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 45.7 % 19586051
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 27.5 % 19586051
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 50 % 19586051
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 40 % 19586051
NPT2 Others Unspecified Activity = 40 % 10.1039/C2MD20047C
NPT2 Others Unspecified Activity = 35 % 10.1039/C2MD20047C
NPT2 Others Unspecified Activity = 60 % 10.1039/C2MD20047C
NPT2 Others Unspecified Ratio = 5 25819098
NPT2 Others Unspecified Ratio = 4 25819098
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 20300 nM 25819098
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Ki = 10330 nM 25819098
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition = 91 % 25819098
NPT1210 Individual Protein T-cell protein-tyrosine phosphatase Homo sapiens Inhibition = 48.4 % 25819098
NPT1211 Individual Protein Dual specificity protein phosphatase 3 Homo sapiens Inhibition = 27.5 % 25819098
NPT205 Individual Protein Protein-tyrosine phosphatase 1C Homo sapiens Inhibition = 22.8 % 25819098
NPT206 Individual Protein Protein-tyrosine phosphatase 2C Homo sapiens Inhibition = 18.3 % 25819098
NPT2 Others Unspecified Ratio = 3.3 25819098
NPT2 Others Unspecified Ratio = 1.9 25819098

  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 NPC12649 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
0.9182 High Similarity NPC293487
0.913 High Similarity NPC478182
0.8977 High Similarity NPC212213
0.8977 High Similarity NPC168911
0.8951 High Similarity NPC478185
0.8909 High Similarity NPC32534
0.8902 High Similarity NPC478183
0.8896 High Similarity NPC478184
0.887 High Similarity NPC239954
0.8857 High Similarity NPC198673
0.8795 High Similarity NPC91895
0.8655 High Similarity NPC24864
0.8616 High Similarity NPC478186
0.8353 Intermediate Similarity NPC65080
0.8343 Intermediate Similarity NPC56233
0.8342 Intermediate Similarity NPC287208
0.8306 Intermediate Similarity NPC81535
0.8133 Intermediate Similarity NPC281094
0.8125 Intermediate Similarity NPC73994
0.8053 Intermediate Similarity NPC82548
0.801 Intermediate Similarity NPC174672
0.801 Intermediate Similarity NPC174758
0.8 Intermediate Similarity NPC470111
0.7963 Intermediate Similarity NPC238499
0.7892 Intermediate Similarity NPC179787
0.7892 Intermediate Similarity NPC201380
0.7884 Intermediate Similarity NPC211813
0.7844 Intermediate Similarity NPC321911
0.7842 Intermediate Similarity NPC53144
0.7842 Intermediate Similarity NPC200836
0.7831 Intermediate Similarity NPC63545
0.7809 Intermediate Similarity NPC83774
0.7805 Intermediate Similarity NPC277157
0.7798 Intermediate Similarity NPC40070
0.7784 Intermediate Similarity NPC469811
0.7766 Intermediate Similarity NPC274982
0.7746 Intermediate Similarity NPC225018
0.7733 Intermediate Similarity NPC477591
0.7722 Intermediate Similarity NPC61011
0.7714 Intermediate Similarity NPC114637
0.7706 Intermediate Similarity NPC325903
0.7697 Intermediate Similarity NPC469529
0.7688 Intermediate Similarity NPC122141
0.768 Intermediate Similarity NPC191415
0.7674 Intermediate Similarity NPC236711
0.7668 Intermediate Similarity NPC238457
0.7667 Intermediate Similarity NPC11126
0.7665 Intermediate Similarity NPC470440
0.7602 Intermediate Similarity NPC85273
0.7596 Intermediate Similarity NPC284678
0.7596 Intermediate Similarity NPC46895
0.7561 Intermediate Similarity NPC251722
0.7561 Intermediate Similarity NPC314102
0.7545 Intermediate Similarity NPC20144
0.7541 Intermediate Similarity NPC102755
0.7526 Intermediate Similarity NPC267928
0.7514 Intermediate Similarity NPC311858
0.75 Intermediate Similarity NPC228835
0.7474 Intermediate Similarity NPC317701
0.747 Intermediate Similarity NPC104483
0.7455 Intermediate Similarity NPC150259
0.7447 Intermediate Similarity NPC117244
0.7447 Intermediate Similarity NPC473763
0.7423 Intermediate Similarity NPC57398
0.7418 Intermediate Similarity NPC14325
0.7418 Intermediate Similarity NPC28848
0.7414 Intermediate Similarity NPC51054
0.7405 Intermediate Similarity NPC258480
0.7405 Intermediate Similarity NPC470003
0.7401 Intermediate Similarity NPC317105
0.74 Intermediate Similarity NPC221100
0.74 Intermediate Similarity NPC234078
0.7396 Intermediate Similarity NPC474916
0.7396 Intermediate Similarity NPC470499
0.7386 Intermediate Similarity NPC470204
0.7381 Intermediate Similarity NPC141053
0.7368 Intermediate Similarity NPC326422
0.7356 Intermediate Similarity NPC476219
0.7351 Intermediate Similarity NPC48938
0.7345 Intermediate Similarity NPC242116
0.7345 Intermediate Similarity NPC194881
0.7345 Intermediate Similarity NPC470203
0.7341 Intermediate Similarity NPC472260
0.7337 Intermediate Similarity NPC190296
0.7326 Intermediate Similarity NPC94752
0.7326 Intermediate Similarity NPC66210
0.7322 Intermediate Similarity NPC240088
0.7322 Intermediate Similarity NPC473380
0.7321 Intermediate Similarity NPC115611
0.732 Intermediate Similarity NPC121327
0.732 Intermediate Similarity NPC19872
0.7308 Intermediate Similarity NPC469938
0.7302 Intermediate Similarity NPC324091
0.7299 Intermediate Similarity NPC200214
0.7296 Intermediate Similarity NPC46358
0.7293 Intermediate Similarity NPC470498
0.7293 Intermediate Similarity NPC82331
0.7287 Intermediate Similarity NPC17059
0.7283 Intermediate Similarity NPC265710
0.7283 Intermediate Similarity NPC248462
0.7273 Intermediate Similarity NPC129721
0.7273 Intermediate Similarity NPC99939
0.7273 Intermediate Similarity NPC308931
0.7268 Intermediate Similarity NPC280852
0.7268 Intermediate Similarity NPC151635
0.7268 Intermediate Similarity NPC74413
0.7263 Intermediate Similarity NPC129909
0.7263 Intermediate Similarity NPC274229
0.7262 Intermediate Similarity NPC110126
0.7262 Intermediate Similarity NPC73767
0.7257 Intermediate Similarity NPC476297
0.7251 Intermediate Similarity NPC285731
0.7251 Intermediate Similarity NPC314372
0.7249 Intermediate Similarity NPC61435
0.7247 Intermediate Similarity NPC282231
0.7246 Intermediate Similarity NPC84911
0.7245 Intermediate Similarity NPC143977
0.7243 Intermediate Similarity NPC16659
0.7241 Intermediate Similarity NPC470233
0.724 Intermediate Similarity NPC294693
0.7236 Intermediate Similarity NPC266249
0.7234 Intermediate Similarity NPC62749
0.7229 Intermediate Similarity NPC198988
0.7228 Intermediate Similarity NPC234987
0.7228 Intermediate Similarity NPC157583
0.7222 Intermediate Similarity NPC470509
0.7219 Intermediate Similarity NPC165495
0.7219 Intermediate Similarity NPC467063
0.7213 Intermediate Similarity NPC317054
0.7208 Intermediate Similarity NPC245816
0.7208 Intermediate Similarity NPC476138
0.7202 Intermediate Similarity NPC102592
0.7202 Intermediate Similarity NPC169433
0.7202 Intermediate Similarity NPC79356
0.7191 Intermediate Similarity NPC81229
0.7191 Intermediate Similarity NPC279918
0.7191 Intermediate Similarity NPC255229
0.7186 Intermediate Similarity NPC261195
0.7186 Intermediate Similarity NPC29886
0.7186 Intermediate Similarity NPC96102
0.7182 Intermediate Similarity NPC63751
0.7178 Intermediate Similarity NPC118940
0.7175 Intermediate Similarity NPC299594
0.7166 Intermediate Similarity NPC143533
0.7165 Intermediate Similarity NPC106824
0.7165 Intermediate Similarity NPC167710
0.7164 Intermediate Similarity NPC123839
0.7157 Intermediate Similarity NPC260900
0.7151 Intermediate Similarity NPC159856
0.7143 Intermediate Similarity NPC105127
0.7143 Intermediate Similarity NPC97343
0.7143 Intermediate Similarity NPC65408
0.7143 Intermediate Similarity NPC118084
0.7136 Intermediate Similarity NPC472064
0.7135 Intermediate Similarity NPC216550
0.7135 Intermediate Similarity NPC326575
0.7135 Intermediate Similarity NPC68354
0.7128 Intermediate Similarity NPC21429
0.7127 Intermediate Similarity NPC49954
0.7127 Intermediate Similarity NPC474561
0.7127 Intermediate Similarity NPC54988
0.712 Intermediate Similarity NPC471579
0.7118 Intermediate Similarity NPC469783
0.7118 Intermediate Similarity NPC469779
0.7118 Intermediate Similarity NPC469768
0.7118 Intermediate Similarity NPC469767
0.7118 Intermediate Similarity NPC469780
0.7118 Intermediate Similarity NPC469784
0.7118 Intermediate Similarity NPC469761
0.7111 Intermediate Similarity NPC311276
0.7111 Intermediate Similarity NPC265100
0.711 Intermediate Similarity NPC143872
0.711 Intermediate Similarity NPC288838
0.7095 Intermediate Similarity NPC44773
0.7095 Intermediate Similarity NPC215584
0.7092 Intermediate Similarity NPC237414
0.7092 Intermediate Similarity NPC284338
0.709 Intermediate Similarity NPC133003
0.7086 Intermediate Similarity NPC24678
0.7086 Intermediate Similarity NPC105818
0.7086 Intermediate Similarity NPC53947
0.7085 Intermediate Similarity NPC472259
0.7083 Intermediate Similarity NPC325252
0.7083 Intermediate Similarity NPC476460
0.7081 Intermediate Similarity NPC474958
0.7078 Intermediate Similarity NPC472434
0.7076 Intermediate Similarity NPC469766
0.7074 Intermediate Similarity NPC470205
0.7069 Intermediate Similarity NPC471957
0.7068 Intermediate Similarity NPC213629
0.7065 Intermediate Similarity NPC161861
0.7059 Intermediate Similarity NPC88097
0.7059 Intermediate Similarity NPC476287
0.7056 Intermediate Similarity NPC176538
0.7056 Intermediate Similarity NPC470497
0.7053 Intermediate Similarity NPC478077
0.7052 Intermediate Similarity NPC86288
0.705 Intermediate Similarity NPC472065
0.7049 Intermediate Similarity NPC194411
0.7048 Intermediate Similarity NPC256893

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC12649 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
0.807 Intermediate Similarity NPD2915 Discontinued
0.7753 Intermediate Similarity NPD5104 Approved
0.7679 Intermediate Similarity NPD4547 Phase 3
0.7572 Intermediate Similarity NPD4326 Phase 2
0.7516 Intermediate Similarity NPD715 Phase 3
0.7514 Intermediate Similarity NPD5444 Phase 1
0.7486 Intermediate Similarity NPD6454 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD3385 Approved
0.7472 Intermediate Similarity NPD4638 Approved
0.7472 Intermediate Similarity NPD2390 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD4640 Approved
0.7472 Intermediate Similarity NPD4639 Approved
0.7459 Intermediate Similarity NPD5075 Discontinued
0.7443 Intermediate Similarity NPD5400 Approved
0.7419 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD4957 Phase 2
0.7396 Intermediate Similarity NPD1918 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD3321 Discontinued
0.738 Intermediate Similarity NPD3961 Discontinued
0.7374 Intermediate Similarity NPD1292 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD1661 Suspended
0.7366 Intermediate Similarity NPD4336 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD5555 Phase 1
0.7363 Intermediate Similarity NPD4075 Phase 2
0.736 Intermediate Similarity NPD4550 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD6239 Discontinued
0.7344 Intermediate Similarity NPD6206 Phase 1
0.7337 Intermediate Similarity NPD2006 Phase 2
0.7337 Intermediate Similarity NPD4637 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD7944 Discontinued
0.7326 Intermediate Similarity NPD2430 Phase 2
0.7326 Intermediate Similarity NPD5820 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD3475 Approved
0.7301 Intermediate Similarity NPD3476 Approved
0.7299 Intermediate Similarity NPD2837 Discontinued
0.7287 Intermediate Similarity NPD7394 Phase 2
0.7282 Intermediate Similarity NPD5017 Discontinued
0.7278 Intermediate Similarity NPD4779 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD1722 Approved
0.7263 Intermediate Similarity NPD2720 Phase 1
0.7263 Intermediate Similarity NPD2719 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD6180 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD3785 Clinical (unspecified phase)
0.724 Intermediate Similarity NPD7619 Phase 3
0.724 Intermediate Similarity NPD7618 Phase 3
0.7234 Intermediate Similarity NPD4902 Discontinued
0.7225 Intermediate Similarity NPD3100 Discontinued
0.7225 Intermediate Similarity NPD4374 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2118 Approved
0.7222 Intermediate Similarity NPD2119 Approved
0.7219 Intermediate Similarity NPD7564 Discontinued
0.7208 Intermediate Similarity NPD5487 Phase 1
0.7202 Intermediate Similarity NPD4848 Phase 1
0.7202 Intermediate Similarity NPD7023 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD4988 Discontinued
0.7194 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD198 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD7712 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD4900 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD786 Approved
0.7158 Intermediate Similarity NPD4334 Discontinued
0.7151 Intermediate Similarity NPD6771 Discontinued
0.715 Intermediate Similarity NPD2357 Approved
0.715 Intermediate Similarity NPD6615 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6554 Approved
0.7143 Intermediate Similarity NPD201 Phase 2
0.7143 Intermediate Similarity NPD5809 Phase 3
0.7143 Intermediate Similarity NPD6217 Discontinued
0.7143 Intermediate Similarity NPD200 Phase 2
0.7143 Intermediate Similarity NPD45 Approved
0.7136 Intermediate Similarity NPD7001 Phase 3
0.7135 Intermediate Similarity NPD3430 Approved
0.7135 Intermediate Similarity NPD3506 Approved
0.7135 Intermediate Similarity NPD3431 Approved
0.7135 Intermediate Similarity NPD3505 Approved
0.7134 Intermediate Similarity NPD3654 Approved
0.7128 Intermediate Similarity NPD6261 Phase 3
0.711 Intermediate Similarity NPD7469 Discontinued
0.711 Intermediate Similarity NPD1683 Approved
0.7105 Intermediate Similarity NPD3486 Clinical (unspecified phase)
0.7104 Intermediate Similarity NPD5934 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD3905 Phase 3
0.7097 Intermediate Similarity NPD4076 Approved
0.7097 Intermediate Similarity NPD8037 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD8036 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD4079 Approved
0.7094 Intermediate Similarity NPD7195 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD7164 Discontinued
0.7092 Intermediate Similarity NPD6248 Phase 2
0.7092 Intermediate Similarity NPD7000 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD6999 Discontinued
0.7092 Intermediate Similarity NPD6249 Phase 2
0.7088 Intermediate Similarity NPD5862 Discovery
0.7088 Intermediate Similarity NPD2333 Discontinued
0.7085 Intermediate Similarity NPD6288 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD2581 Approved
0.7079 Intermediate Similarity NPD2582 Approved
0.7076 Intermediate Similarity NPD5020 Approved
0.7074 Intermediate Similarity NPD7401 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD4028 Approved
0.7066 Intermediate Similarity NPD4030 Approved
0.7066 Intermediate Similarity NPD3944 Approved
0.7066 Intermediate Similarity NPD3942 Approved
0.7066 Intermediate Similarity NPD4029 Approved
0.7065 Intermediate Similarity NPD750 Phase 2
0.7056 Intermediate Similarity NPD5315 Discontinued
0.7056 Intermediate Similarity NPD5427 Suspended
0.7053 Intermediate Similarity NPD3378 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD6721 Phase 1
0.7047 Intermediate Similarity NPD4922 Phase 2
0.7047 Intermediate Similarity NPD4372 Phase 1
0.7047 Intermediate Similarity NPD5505 Discontinued
0.7043 Intermediate Similarity NPD7111 Discontinued
0.7039 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD4047 Discontinued
0.7033 Intermediate Similarity NPD3929 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD4128 Approved
0.7026 Intermediate Similarity NPD3362 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4011 Clinical (unspecified phase)
0.7017 Intermediate Similarity NPD3323 Discontinued
0.7016 Intermediate Similarity NPD5590 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD7573 Discontinued
0.701 Intermediate Similarity NPD2386 Approved
0.7006 Intermediate Similarity NPD1627 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD3800 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.699 Remote Similarity NPD2880 Discontinued
0.6989 Remote Similarity NPD6375 Clinical (unspecified phase)
0.6989 Remote Similarity NPD7402 Clinical (unspecified phase)
0.6985 Remote Similarity NPD2879 Approved
0.6985 Remote Similarity NPD2881 Approved
0.698 Remote Similarity NPD7666 Phase 3
0.698 Remote Similarity NPD7665 Phase 2
0.6979 Remote Similarity NPD6965 Clinical (unspecified phase)
0.6976 Remote Similarity NPD6787 Phase 2
0.6974 Remote Similarity NPD4602 Approved
0.6968 Remote Similarity NPD5508 Phase 1
0.6968 Remote Similarity NPD1291 Clinical (unspecified phase)
0.6968 Remote Similarity NPD6277 Clinical (unspecified phase)
0.6966 Remote Similarity NPD977 Approved
0.6966 Remote Similarity NPD975 Approved
0.6966 Remote Similarity NPD976 Approved
0.6965 Remote Similarity NPD4023 Clinical (unspecified phase)
0.6963 Remote Similarity NPD7026 Phase 2
0.6961 Remote Similarity NPD4614 Clinical (unspecified phase)
0.6961 Remote Similarity NPD1853 Clinical (unspecified phase)
0.6961 Remote Similarity NPD4384 Clinical (unspecified phase)
0.6959 Remote Similarity NPD4315 Phase 2
0.6957 Remote Similarity NPD270 Clinical (unspecified phase)
0.6957 Remote Similarity NPD8000 Clinical (unspecified phase)
0.6957 Remote Similarity NPD271 Approved
0.6957 Remote Similarity NPD4024 Phase 3
0.6957 Remote Similarity NPD268 Approved
0.6952 Remote Similarity NPD2144 Approved
0.6952 Remote Similarity NPD4181 Approved
0.6952 Remote Similarity NPD1272 Clinical (unspecified phase)
0.6948 Remote Similarity NPD7780 Approved
0.6948 Remote Similarity NPD5559 Phase 2
0.6948 Remote Similarity NPD7781 Approved
0.6947 Remote Similarity NPD3607 Clinical (unspecified phase)
0.6944 Remote Similarity NPD5418 Discontinued
0.6944 Remote Similarity NPD3433 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6281 Approved
0.6935 Remote Similarity NPD5065 Approved
0.6923 Remote Similarity NPD3583 Phase 2
0.6923 Remote Similarity NPD3485 Clinical (unspecified phase)
0.6915 Remote Similarity NPD3341 Clinical (unspecified phase)
0.6912 Remote Similarity NPD4051 Discontinued
0.6912 Remote Similarity NPD6204 Clinical (unspecified phase)
0.6911 Remote Similarity NPD6610 Clinical (unspecified phase)
0.6909 Remote Similarity NPD991 Phase 2
0.6909 Remote Similarity NPD992 Clinical (unspecified phase)
0.6907 Remote Similarity NPD1658 Discontinued
0.6902 Remote Similarity NPD2641 Approved
0.6902 Remote Similarity NPD5021 Discontinued
0.6902 Remote Similarity NPD1343 Approved
0.6902 Remote Similarity NPD2640 Approved
0.6897 Remote Similarity NPD2443 Approved
0.6897 Remote Similarity NPD2442 Approved
0.6882 Remote Similarity NPD1253 Approved
0.6882 Remote Similarity NPD966 Clinical (unspecified phase)
0.6882 Remote Similarity NPD1255 Approved
0.6882 Remote Similarity NPD1256 Approved
0.6882 Remote Similarity NPD1254 Approved
0.6881 Remote Similarity NPD2008 Discontinued
0.6878 Remote Similarity NPD6595 Phase 3
0.6875 Remote Similarity NPD2591 Phase 2
0.6875 Remote Similarity NPD1270 Approved
0.6869 Remote Similarity NPD7204 Clinical (unspecified phase)
0.6868 Remote Similarity NPD2385 Clinical (unspecified phase)
0.6866 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6866 Remote Similarity NPD3777 Phase 3
0.6865 Remote Similarity NPD4973 Approved
0.6862 Remote Similarity NPD6203 Clinical (unspecified phase)
0.6862 Remote Similarity NPD8123 Approved
0.6862 Remote Similarity NPD8122 Approved
0.6859 Remote Similarity NPD5892 Approved
0.6859 Remote Similarity NPD6178 Phase 3
0.6857 Remote Similarity NPD5884 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   259218
ChEMBL   CHEMBL508649
ZINC  

Physicochemical Properties

Molecular Weight:  250.07
ALogP:  -0.6656
MLogP:  2.67
XLogP:  3.049
# Rotatable Bonds:  2
Polar Surface Area:  44.12
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  19

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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