Natural Product: NPC87466

Natural Product ID:  NPC87466
Common Name:   Hedychenone
IUPAC Name:   (4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
Synonyms:   Hedychenone
Molecular Formula:   C20H26O2
Standard InCHIKey:  MXTCKNHXBBXULO-ZJDHVTHPSA-N
Standard InCHI:  InChI=1S/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18-,20+/m0/s1
Canonical SMILES:  CC1=CC(=O)[C@@H]2[C@]([C@H]1/C=C/c1cocc1)(C)CCCC2(C)C
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
NPO26610 Spiraea formosana Species Rosaceae Eukaryota UNPD*
NPO24894 Parmelia tinctina Species Parmeliaceae Eukaryota UNPD*
NPO23410 Potentilla candicans Species Rosaceae Eukaryota UNPD*
NPO26113 Strychnos wallichiana Species Loganiaceae Eukaryota UNPD*
NPO13072 Rhamnus formosana Species Rhamnaceae Eukaryota UNPD*
NPO25582 Aquilegia viridiflora Species Ranunculaceae Eukaryota UNPD*
NPO26643 Cichorium endivia Species Asteraceae Eukaryota UNPD*
NPO28819 Veronica liwanensis Species Plantaginaceae Eukaryota UNPD*
NPO19916 Phenax angustifolius Species Urticaceae Eukaryota UNPD*
NPO26676 Daphne arisanensis Species Thymelaeaceae Eukaryota UNPD*
NPO7465 Vachellia leucophloea Species Fabaceae Eukaryota UNPD*
NPO26357 Trachyrhamphus serratus Species Syngnathidae Eukaryota UNPD*
NPO26846 Guettarda noumeana Species Rubiaceae Eukaryota UNPD*
NPO25962 Rhamnus cathartica Species Rhamnaceae Eukaryota UNPD*
NPO26306 Pyrobaculum organotrophum Species Thermoproteaceae Archaea UNPD*
NPO26208 Brombya platynema Species Rutaceae Eukaryota UNPD*
NPO26743 Lippia adoensis Species Verbenaceae Eukaryota UNPD*
NPO15693 Guadua angustifolia Species Poaceae Eukaryota UNPD*
NPO10372 Kiggelaria africana Species Achariaceae Eukaryota UNPD*
NPO26554 Hexagonia speciosa Species Carabidae Eukaryota UNPD*
NPO24733 Celastrus dispermus Species Celastraceae Eukaryota UNPD*
NPO15897 Hedychium forrestii Species Zingiberaceae Eukaryota TCMID*
NPO23589 Pecten irradians Species Pectinidae Eukaryota UNPD*
NPO25518 Hedychium coronarium Species Zingiberaceae Eukaryota TCMID*
NPO24829 Gyrostroma missouriense NA NA NA UNPD*
NPO11192 Hedera helix Species Araliaceae Eukaryota TCMID*
NPO13051 Perymenium jelskii Species Asteraceae Eukaryota UNPD*
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota TCMID*
NPO26816 Clinopodium gracile Species Lamiaceae Eukaryota UNPD*
NPO17266 Hedychium yunnanense Species Zingiberaceae Eukaryota TCMID*
NPO26079 Asterococcus muratae Species Cerococcidae Eukaryota UNPD*
NPO14969 Hedychium spicatum Species Zingiberaceae Eukaryota TCMID*
NPO25906 Acacia linarioides Species Fabaceae Eukaryota UNPD*
NPO25575 Streptomyces pseudovenezuelae Species Streptomycetaceae Bacteria UNPD*
NPO26175 Spongionella gracilis Species Dictyodendrillidae Eukaryota UNPD*
NPO29093 Homalium longifolium Species Salicaceae Eukaryota UNPD*
NPO25086 Viburnum betulifolium Species Adoxaceae Eukaryota UNPD*
NPO25393 Coelogyne flavida Species Orchidaceae Eukaryota UNPD*
NPO26481 Astragalus kabadianus Species Fabaceae Eukaryota UNPD*
NPO14969 Hedychium spicatum Species Zingiberaceae Eukaryota Rhizomes PMID[19332371]
NPO26392 Piptadenia colubrina Species Fabaceae Eukaryota UNPD*
NPO25518 Hedychium coronarium Species Zingiberaceae Eukaryota Rhizomes PMID[21106458]
NPO24608 Gaertnera morindoides Species Rubiaceae Eukaryota UNPD*
NPO21639 Prunus mahaleb Species Rosaceae Eukaryota UNPD*
NPO26524 Chondria californica Species Rhodomelaceae Eukaryota UNPD*
NPO25518 Hedychium coronarium Species Zingiberaceae Eukaryota UNPD*
NPO25854 Tripterospermum lanceolatum Species Gentianaceae Eukaryota UNPD*
NPO25803 Strychnos elaeocarpa Species Loganiaceae Eukaryota UNPD*
NPO22353 Lucilia caesar Species Calliphoridae Eukaryota UNPD*
NPO17771 Senna didymobotrya Species Fabaceae Eukaryota UNPD*
NPO14283 Ponera metallica Species Formicidae Eukaryota UNPD*
NPO25469 Lupinus luteus Species Fabaceae Eukaryota UNPD*
NPO26456 Jaborosa leucotricha Species Solanaceae Eukaryota UNPD*
NPO25996 Stenolobium stans NA NA NA UNPD*
NPO25768 Senecio ruwenzoriensis Species Asteraceae Eukaryota UNPD*
NPO25732 Trichilia havanensis Species Meliaceae Eukaryota UNPD*
NPO25264 Cerbera odollam Species Apocynaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 55.6 % 19332371
NPT83 Cell Line MCF7 Homo sapiens IC50 = 19.41 ug/ml 20303755
NPT116 Cell Line HL-60 Homo sapiens IC50 = 17.68 ug/ml 20303755
NPT1161 Cell Line CHO Cricetulus griseus IC50 = 8.2 ug/ml 20303755
NPT1083 Cell Line A-375 Homo sapiens IC50 = 21.13 ug/ml 20303755
NPT81 Cell Line A549 Homo sapiens IC50 = 33.12 ug/ml 20303755
NPT81 Cell Line A549 Homo sapiens GI50 = 7400 nM 21106458
NPT81 Cell Line A549 Homo sapiens LC50 = 14000 nM 21106458
NPT136 Cell Line SK-N-SH Homo sapiens GI50 = 11600 nM 21106458
NPT136 Cell Line SK-N-SH Homo sapiens LC50 = 17200 nM 21106458
NPT83 Cell Line MCF7 Homo sapiens GI50 = 14900 nM 21106458
NPT83 Cell Line MCF7 Homo sapiens LC50 = 19800 nM 21106458
NPT165 Cell Line HeLa Homo sapiens GI50 = 63200 nM 21106458
NPT165 Cell Line HeLa Homo sapiens LC50 = 81500 nM 21106458

  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 NPC87466 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
0.9244 High Similarity NPC246392
0.9244 High Similarity NPC290955
0.9189 High Similarity NPC277525
0.9167 High Similarity NPC26532
0.9167 High Similarity NPC279877
0.9091 High Similarity NPC208389
0.8803 High Similarity NPC243704
0.878 High Similarity NPC59502
0.8607 High Similarity NPC471074
0.8607 High Similarity NPC473885
0.8583 High Similarity NPC97566
0.8537 High Similarity NPC23086
0.8455 Intermediate Similarity NPC300098
0.8455 Intermediate Similarity NPC290193
0.8443 Intermediate Similarity NPC16922
0.84 Intermediate Similarity NPC477123
0.84 Intermediate Similarity NPC207294
0.84 Intermediate Similarity NPC112706
0.84 Intermediate Similarity NPC477966
0.8397 Intermediate Similarity NPC474722
0.839 Intermediate Similarity NPC150895
0.8385 Intermediate Similarity NPC307401
0.8361 Intermediate Similarity NPC317217
0.8361 Intermediate Similarity NPC477967
0.8359 Intermediate Similarity NPC471006
0.8346 Intermediate Similarity NPC61788
0.832 Intermediate Similarity NPC83178
0.8306 Intermediate Similarity NPC179354
0.8258 Intermediate Similarity NPC202260
0.8254 Intermediate Similarity NPC476917
0.8254 Intermediate Similarity NPC327527
0.8254 Intermediate Similarity NPC329707
0.8254 Intermediate Similarity NPC477039
0.8254 Intermediate Similarity NPC477040
0.824 Intermediate Similarity NPC46536
0.824 Intermediate Similarity NPC74612
0.824 Intermediate Similarity NPC138139
0.8235 Intermediate Similarity NPC205523
0.8231 Intermediate Similarity NPC158525
0.8226 Intermediate Similarity NPC477038
0.8226 Intermediate Similarity NPC178382
0.8226 Intermediate Similarity NPC477965
0.8217 Intermediate Similarity NPC218838
0.8217 Intermediate Similarity NPC470740
0.8203 Intermediate Similarity NPC298190
0.8195 Intermediate Similarity NPC148374
0.8168 Intermediate Similarity NPC146872
0.814 Intermediate Similarity NPC473982
0.8125 Intermediate Similarity NPC476925
0.8099 Intermediate Similarity NPC312525
0.8099 Intermediate Similarity NPC217180
0.8099 Intermediate Similarity NPC212918
0.808 Intermediate Similarity NPC188377
0.808 Intermediate Similarity NPC65735
0.808 Intermediate Similarity NPC118853
0.8077 Intermediate Similarity NPC293253
0.8074 Intermediate Similarity NPC263337
0.803 Intermediate Similarity NPC46896
0.8 Intermediate Similarity NPC471817
0.797 Intermediate Similarity NPC310830
0.7967 Intermediate Similarity NPC473969
0.7967 Intermediate Similarity NPC137710
0.7955 Intermediate Similarity NPC92941
0.7955 Intermediate Similarity NPC476947
0.7934 Intermediate Similarity NPC28054
0.7926 Intermediate Similarity NPC56197
0.7923 Intermediate Similarity NPC89133
0.792 Intermediate Similarity NPC36255
0.791 Intermediate Similarity NPC220094
0.791 Intermediate Similarity NPC476943
0.791 Intermediate Similarity NPC236532
0.791 Intermediate Similarity NPC472376
0.7869 Intermediate Similarity NPC59035
0.7869 Intermediate Similarity NPC79202
0.7857 Intermediate Similarity NPC272899
0.7852 Intermediate Similarity NPC90953
0.7836 Intermediate Similarity NPC215109
0.7836 Intermediate Similarity NPC470742
0.7836 Intermediate Similarity NPC170604
0.7836 Intermediate Similarity NPC42400
0.782 Intermediate Similarity NPC209858
0.781 Intermediate Similarity NPC473152
0.7805 Intermediate Similarity NPC131801
0.7795 Intermediate Similarity NPC83115
0.7795 Intermediate Similarity NPC243269
0.7795 Intermediate Similarity NPC130275
0.7794 Intermediate Similarity NPC90296
0.7786 Intermediate Similarity NPC71821
0.777 Intermediate Similarity NPC56731
0.777 Intermediate Similarity NPC290038
0.7734 Intermediate Similarity NPC230979
0.7734 Intermediate Similarity NPC303010
0.7727 Intermediate Similarity NPC471995
0.7724 Intermediate Similarity NPC45536
0.7721 Intermediate Similarity NPC233707
0.7714 Intermediate Similarity NPC233763
0.7698 Intermediate Similarity NPC199044
0.7698 Intermediate Similarity NPC142113
0.7698 Intermediate Similarity NPC238843
0.7687 Intermediate Similarity NPC324117
0.7686 Intermediate Similarity NPC22678
0.7681 Intermediate Similarity NPC52412
0.7664 Intermediate Similarity NPC67003
0.7664 Intermediate Similarity NPC473983
0.7664 Intermediate Similarity NPC201370
0.7661 Intermediate Similarity NPC227660
0.7661 Intermediate Similarity NPC208906
0.7661 Intermediate Similarity NPC144745
0.7652 Intermediate Similarity NPC477645
0.7647 Intermediate Similarity NPC177262
0.7643 Intermediate Similarity NPC245522
0.7643 Intermediate Similarity NPC114513
0.7643 Intermediate Similarity NPC185456
0.7639 Intermediate Similarity NPC246164
0.7634 Intermediate Similarity NPC198904
0.7626 Intermediate Similarity NPC243577
0.7626 Intermediate Similarity NPC267632
0.7622 Intermediate Similarity NPC212257
0.7622 Intermediate Similarity NPC228842
0.7615 Intermediate Similarity NPC95567
0.7615 Intermediate Similarity NPC319140
0.7609 Intermediate Similarity NPC205765
0.7606 Intermediate Similarity NPC93666
0.76 Intermediate Similarity NPC21831
0.76 Intermediate Similarity NPC187547
0.76 Intermediate Similarity NPC206007
0.7594 Intermediate Similarity NPC279596
0.7589 Intermediate Similarity NPC470999
0.7589 Intermediate Similarity NPC471292
0.7589 Intermediate Similarity NPC478166
0.7586 Intermediate Similarity NPC471863
0.7554 Intermediate Similarity NPC121158
0.7554 Intermediate Similarity NPC475519
0.7552 Intermediate Similarity NPC95526
0.7538 Intermediate Similarity NPC470858
0.7535 Intermediate Similarity NPC302987
0.7535 Intermediate Similarity NPC224418
0.7535 Intermediate Similarity NPC471174
0.7535 Intermediate Similarity NPC281398
0.7535 Intermediate Similarity NPC10088
0.7534 Intermediate Similarity NPC25351
0.7518 Intermediate Similarity NPC34056
0.7517 Intermediate Similarity NPC121615
0.7517 Intermediate Similarity NPC294511
0.75 Intermediate Similarity NPC471521
0.75 Intermediate Similarity NPC470741
0.75 Intermediate Similarity NPC472298
0.75 Intermediate Similarity NPC120836
0.75 Intermediate Similarity NPC473356
0.75 Intermediate Similarity NPC476946
0.75 Intermediate Similarity NPC223415
0.75 Intermediate Similarity NPC223063
0.7481 Intermediate Similarity NPC106247
0.7481 Intermediate Similarity NPC141059
0.748 Intermediate Similarity NPC246214
0.7479 Intermediate Similarity NPC42471
0.7465 Intermediate Similarity NPC62799
0.7465 Intermediate Similarity NPC276676
0.7465 Intermediate Similarity NPC262198
0.7465 Intermediate Similarity NPC346
0.7462 Intermediate Similarity NPC71274
0.7462 Intermediate Similarity NPC75557
0.7462 Intermediate Similarity NPC474829
0.7459 Intermediate Similarity NPC105249
0.7447 Intermediate Similarity NPC476944
0.7447 Intermediate Similarity NPC251865
0.7447 Intermediate Similarity NPC117674
0.7447 Intermediate Similarity NPC84479
0.7444 Intermediate Similarity NPC21460
0.7438 Intermediate Similarity NPC177331
0.7431 Intermediate Similarity NPC471001
0.7431 Intermediate Similarity NPC470998
0.7431 Intermediate Similarity NPC234494
0.7426 Intermediate Similarity NPC265793
0.7422 Intermediate Similarity NPC1848
0.7419 Intermediate Similarity NPC252004
0.7413 Intermediate Similarity NPC250228
0.7413 Intermediate Similarity NPC216755
0.7405 Intermediate Similarity NPC474260
0.7405 Intermediate Similarity NPC81912
0.7405 Intermediate Similarity NPC329922
0.7405 Intermediate Similarity NPC329694
0.7405 Intermediate Similarity NPC83301
0.7402 Intermediate Similarity NPC4898
0.7394 Intermediate Similarity NPC5676
0.7394 Intermediate Similarity NPC247221
0.7391 Intermediate Similarity NPC130976
0.7391 Intermediate Similarity NPC471996
0.7388 Intermediate Similarity NPC475092
0.7385 Intermediate Similarity NPC11799
0.7385 Intermediate Similarity NPC141252
0.7379 Intermediate Similarity NPC196846
0.7379 Intermediate Similarity NPC46551
0.7379 Intermediate Similarity NPC470997
0.7379 Intermediate Similarity NPC5180
0.7379 Intermediate Similarity NPC159927
0.7379 Intermediate Similarity NPC469335
0.7368 Intermediate Similarity NPC50583
0.7365 Intermediate Similarity NPC104736
0.7365 Intermediate Similarity NPC41880

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC87466 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
0.748 Intermediate Similarity NPD1241 Discontinued
0.7464 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD3972 Approved
0.7209 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD1876 Approved
0.7143 Intermediate Similarity NPD1049 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD1471 Phase 3
0.7055 Intermediate Similarity NPD6273 Approved
0.6957 Remote Similarity NPD8032 Phase 2
0.6954 Remote Similarity NPD5760 Phase 2
0.6954 Remote Similarity NPD5761 Phase 2
0.6861 Remote Similarity NPD6832 Phase 2
0.6853 Remote Similarity NPD2344 Approved
0.6838 Remote Similarity NPD2798 Approved
0.6831 Remote Similarity NPD2799 Discontinued
0.6828 Remote Similarity NPD4628 Phase 3
0.6825 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6786 Remote Similarity NPD3142 Approved
0.6786 Remote Similarity NPD3140 Approved
0.6772 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6742 Remote Similarity NPD5585 Approved
0.6742 Remote Similarity NPD1651 Approved
0.6735 Remote Similarity NPD643 Clinical (unspecified phase)
0.6728 Remote Similarity NPD6765 Approved
0.6728 Remote Similarity NPD6764 Approved
0.6712 Remote Similarity NPD7003 Approved
0.6667 Remote Similarity NPD2796 Approved
0.6667 Remote Similarity NPD2309 Approved
0.6667 Remote Similarity NPD3873 Phase 3
0.6667 Remote Similarity NPD920 Approved
0.6667 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3869 Phase 3
0.6644 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6644 Remote Similarity NPD642 Clinical (unspecified phase)
0.6642 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6642 Remote Similarity NPD2797 Approved
0.6642 Remote Similarity NPD3267 Approved
0.6642 Remote Similarity NPD3266 Approved
0.664 Remote Similarity NPD3134 Approved
0.6627 Remote Similarity NPD8434 Phase 2
0.6621 Remote Similarity NPD2346 Discontinued
0.6618 Remote Similarity NPD5327 Phase 3
0.6597 Remote Similarity NPD3748 Approved
0.6593 Remote Similarity NPD1281 Approved
0.6567 Remote Similarity NPD17 Approved
0.6566 Remote Similarity NPD6785 Approved
0.6566 Remote Similarity NPD6784 Approved
0.6558 Remote Similarity NPD6279 Approved
0.6558 Remote Similarity NPD6280 Approved
0.6549 Remote Similarity NPD2979 Phase 3
0.6549 Remote Similarity NPD4307 Phase 2
0.6536 Remote Similarity NPD6599 Discontinued
0.6531 Remote Similarity NPD1243 Approved
0.6525 Remote Similarity NPD3268 Approved
0.6525 Remote Similarity NPD2313 Discontinued
0.6496 Remote Similarity NPD4359 Approved
0.6493 Remote Similarity NPD5691 Approved
0.6486 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6475 Remote Similarity NPD1019 Discontinued
0.6471 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6471 Remote Similarity NPD7458 Discontinued
0.6454 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6449 Remote Similarity NPD1283 Approved
0.6443 Remote Similarity NPD3887 Approved
0.6434 Remote Similarity NPD4140 Approved
0.6423 Remote Similarity NPD9717 Approved
0.6423 Remote Similarity NPD1608 Approved
0.6406 Remote Similarity NPD2182 Approved
0.6393 Remote Similarity NPD3495 Discontinued
0.6389 Remote Similarity NPD6355 Discontinued
0.6389 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6389 Remote Similarity NPD4622 Approved
0.6389 Remote Similarity NPD4618 Approved
0.6376 Remote Similarity NPD4110 Phase 3
0.6376 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6376 Remote Similarity NPD3750 Approved
0.637 Remote Similarity NPD4308 Phase 3
0.6357 Remote Similarity NPD5647 Approved
0.6352 Remote Similarity NPD919 Approved
0.6333 Remote Similarity NPD7631 Approved
0.6329 Remote Similarity NPD4947 Clinical (unspecified phase)
0.6328 Remote Similarity NPD1358 Approved
0.6327 Remote Similarity NPD6099 Approved
0.6327 Remote Similarity NPD4477 Approved
0.6327 Remote Similarity NPD2531 Phase 2
0.6327 Remote Similarity NPD4476 Approved
0.6327 Remote Similarity NPD1551 Phase 2
0.6327 Remote Similarity NPD2438 Suspended
0.6327 Remote Similarity NPD6100 Approved
0.6324 Remote Similarity NPD1778 Approved
0.6324 Remote Similarity NPD2932 Approved
0.6323 Remote Similarity NPD7028 Phase 2
0.6316 Remote Similarity NPD4661 Approved
0.6316 Remote Similarity NPD7157 Approved
0.6316 Remote Similarity NPD4662 Approved
0.6312 Remote Similarity NPD5494 Approved
0.6312 Remote Similarity NPD9494 Approved
0.6309 Remote Similarity NPD2800 Approved
0.6306 Remote Similarity NPD7819 Suspended
0.6301 Remote Similarity NPD5688 Approved
0.6301 Remote Similarity NPD5689 Approved
0.6296 Remote Similarity NPD1894 Discontinued
0.6286 Remote Similarity NPD1203 Approved
0.6284 Remote Similarity NPD2353 Approved
0.6284 Remote Similarity NPD2355 Clinical (unspecified phase)
0.628 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6279 Remote Similarity NPD2684 Approved
0.6276 Remote Similarity NPD1933 Approved
0.6273 Remote Similarity NPD1247 Approved
0.6267 Remote Similarity NPD8166 Discontinued
0.6258 Remote Similarity NPD2651 Approved
0.6258 Remote Similarity NPD2649 Approved
0.6258 Remote Similarity NPD3226 Approved
0.625 Remote Similarity NPD4870 Approved
0.625 Remote Similarity NPD6799 Approved
0.625 Remote Similarity NPD7609 Phase 3
0.625 Remote Similarity NPD3025 Approved
0.625 Remote Similarity NPD3024 Approved
0.6242 Remote Similarity NPD7577 Discontinued
0.6242 Remote Similarity NPD1549 Phase 2
0.6242 Remote Similarity NPD3050 Clinical (unspecified phase)
0.6235 Remote Similarity NPD6808 Phase 2
0.6234 Remote Similarity NPD5586 Clinical (unspecified phase)
0.6233 Remote Similarity NPD1607 Approved
0.6232 Remote Similarity NPD6287 Discontinued
0.6228 Remote Similarity NPD6559 Discontinued
0.6225 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5536 Phase 2
0.6222 Remote Similarity NPD9092 Discovery
0.6216 Remote Similarity NPD2935 Discontinued
0.6212 Remote Similarity NPD5535 Approved
0.6209 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6209 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6207 Remote Similarity NPD1240 Approved
0.6204 Remote Similarity NPD4626 Approved
0.6204 Remote Similarity NPD3019 Approved
0.6181 Remote Similarity NPD6798 Discontinued
0.6181 Remote Similarity NPD3764 Approved
0.6178 Remote Similarity NPD7411 Suspended
0.6176 Remote Similarity NPD9545 Approved
0.6174 Remote Similarity NPD6005 Phase 3
0.6174 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6174 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6174 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6174 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6174 Remote Similarity NPD6004 Phase 3
0.6174 Remote Similarity NPD6002 Phase 3
0.6173 Remote Similarity NPD8127 Discontinued
0.6172 Remote Similarity NPD9697 Approved
0.6164 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6164 Remote Similarity NPD5735 Approved
0.6164 Remote Similarity NPD2296 Approved
0.616 Remote Similarity NPD1238 Approved
0.6159 Remote Similarity NPD3023 Approved
0.6159 Remote Similarity NPD3496 Discontinued
0.6159 Remote Similarity NPD3026 Approved
0.6159 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6135 Remote Similarity NPD5668 Clinical (unspecified phase)
0.6133 Remote Similarity NPD4534 Discontinued
0.6133 Remote Similarity NPD2897 Discontinued
0.6131 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6125 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6122 Remote Similarity NPD6353 Approved
0.6118 Remote Similarity NPD2354 Approved
0.6111 Remote Similarity NPD710 Clinical (unspecified phase)
0.6111 Remote Similarity NPD7008 Discontinued
0.6104 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6101 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6098 Remote Similarity NPD3926 Phase 2
0.6094 Remote Similarity NPD164 Approved
0.609 Remote Similarity NPD7843 Approved
0.6087 Remote Similarity NPD3749 Approved
0.6078 Remote Similarity NPD7236 Approved
0.6078 Remote Similarity NPD7440 Discontinued
0.6076 Remote Similarity NPD5890 Approved
0.6076 Remote Similarity NPD5889 Approved
0.6076 Remote Similarity NPD6873 Phase 2
0.6069 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6069 Remote Similarity NPD7294 Phase 1
0.6069 Remote Similarity NPD411 Approved
0.6069 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6065 Remote Similarity NPD5049 Phase 3
0.6056 Remote Similarity NPD6362 Approved
0.605 Remote Similarity NPD650 Approved
0.6042 Remote Similarity NPD2614 Approved
0.604 Remote Similarity NPD1510 Phase 2
0.6038 Remote Similarity NPD6801 Discontinued
0.6034 Remote Similarity NPD4107 Approved
0.6029 Remote Similarity NPD9493 Approved
0.6027 Remote Similarity NPD4062 Phase 3
0.6027 Remote Similarity NPD6233 Phase 2
0.6027 Remote Similarity NPD7713 Phase 3
0.6027 Remote Similarity NPD6663 Approved
0.6026 Remote Similarity NPD5403 Approved
0.6026 Remote Similarity NPD2424 Discontinued
0.6026 Remote Similarity NPD5958 Discontinued
0.6026 Remote Similarity NPD6980 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   12067184
ChEMBL   CHEMBL450467
ZINC  

Physicochemical Properties

Molecular Weight:  298.19
ALogP:  1.7344
MLogP:  3.44
XLogP:  5.441
# Rotatable Bonds:  6
Polar Surface Area:  30.21
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  22

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