Natural Product: NPC114979

Natural Product ID:  NPC114979
Common Name:   1-Epitatridin B
IUPAC Name:   (3aS,4R,5E,9R,11aS)-4,9-dihydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
Synonyms:  
Molecular Formula:   C15H20O4
Standard InCHIKey:  KNEQPJSDSYNUHP-RFPYWGSLSA-N
Standard InCHI:  InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,11-14,16-17H,2-5,7H2,1H3/b8-6+/t11-,12-,13+,14+/m1/s1
Canonical SMILES:  C/C/1=C[C@@H](O)[C@H]2[C@H](CC(=C)[C@@H](CC1)O)OC(=O)C2=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
NPO26658 Commiphora dalzielii Species Burseraceae Eukaryota UNPD*
NPO21000 Elysia halimedae Species Placobranchidae Eukaryota UNPD*
NPO15904 Chrysosplenium oppositifolium Species Saxifragaceae Eukaryota UNPD*
NPO16553 Theonella cupola Species Theonellidae Eukaryota UNPD*
NPO26268 Salvia aethiopis Species Lamiaceae Eukaryota UNPD*
NPO21134 Thaumetopoea pityocampa Species Notodontidae Eukaryota UNPD*
NPO27425 Pseudotaxus chienii Species Taxaceae Eukaryota UNPD*
NPO16313 Ochrocarpos odoratus Species Clusiaceae Eukaryota UNPD*
NPO7765 Quercus spicata Species Fagaceae Eukaryota UNPD*
NPO19874 Polygonatum glaberrimum Species Asparagaceae Eukaryota UNPD*
NPO13773 Eriogonum nudum Species Polygonaceae Eukaryota UNPD*
NPO22394 Hyacinthoides hispanica Species Hyacinthaceae Eukaryota UNPD*
NPO17447 Agathosma betulina Species Rutaceae Eukaryota UNPD*
NPO17377 Pittosporum viridiflorum Species Pittosporaceae Eukaryota UNPD*
NPO15691 Senecio coahuilensis Species Asteraceae Eukaryota UNPD*
NPO27420 Venidium hirsutum NA NA NA UNPD*
NPO13130 Notholaena peninsularis Species Pteridaceae Eukaryota UNPD*
NPO20662 Epinephelus drummondhayi Species Serranidae Eukaryota UNPD*
NPO9425 Punctelia microsticta Species Parmeliaceae Eukaryota UNPD*
NPO13975 Calanthe arisanensis Species Orchidaceae Eukaryota UNPD*
NPO13906 Ficus mucuso Species Moraceae Eukaryota UNPD*
NPO17503 Conospermum incurvum Species Proteaceae Eukaryota UNPD*
NPO8298 Sphaeria biglobosa NA NA NA UNPD*
NPO26379 Metrosideros umbellata Species Myrtaceae Eukaryota UNPD*
NPO3742 Betula maximowicziana Species Betulaceae Eukaryota UNPD*
NPO26942 Vicoa vestita NA NA NA UNPD*
NPO1354 Myelochroa rhytidodes Species Parmeliaceae Eukaryota UNPD*
NPO1550 Talaromyces purpureogenus Species Trichocomaceae Eukaryota UNPD*
NPO7664 Pseudocedrela kotschyi Species Meliaceae Eukaryota UNPD*
NPO15194 Euphorbia balsamifera Species Euphorbiaceae Eukaryota UNPD*
NPO13296 Pinus sitchensis Species Pinaceae Eukaryota UNPD*
NPO12087 Amaioua guianensis Species Rubiaceae Eukaryota UNPD*
NPO16713 Choisya arizonica Species Rutaceae Eukaryota UNPD*
NPO15341 Mucuna sloanei Species Fabaceae Eukaryota UNPD*
NPO26454 Acacia oswaldii Species Fabaceae Eukaryota UNPD*
NPO21673 Lupinus caudatus Species Fabaceae Eukaryota UNPD*
NPO20112 Syncephalastrum racemosum Species Syncephalastraceae Eukaryota UNPD*
NPO752 Oligonychus bessardi Species Tetranychidae Eukaryota UNPD*
NPO12730 Heracleum maximum Species Apiaceae Eukaryota UNPD*
NPO3030 Chaenorhinum villosum Species Plantaginaceae Eukaryota UNPD*
NPO8782 Arnica sachalinensis Species Asteraceae Eukaryota UNPD*
NPO6899 Hepialus hecta Species Hepialidae Eukaryota UNPD*
NPO9964 Aglaia lawii Species Meliaceae Eukaryota UNPD*
NPO10969 Epimedium sagittatum Species Berberidaceae Eukaryota UNPD*
NPO8746 Melaleuca triumphalis Species Myrtaceae Eukaryota UNPD*
NPO26981 Thunbergia laurifolia Species Acanthaceae Eukaryota UNPD*
NPO13410 Mcneillia graminifolia Species Caryophyllaceae Eukaryota UNPD*
NPO18782.1 Pulsatilla cernua var. koreana Varieties Ranunculaceae Eukaryota UNPD*
NPO21612 Anthelia glauca Species Xeniidae Eukaryota UNPD*
NPO11310 Baorangia pseudocalopus Species Boletaceae Eukaryota UNPD*
NPO15452 Senecio othonniformis Species Asteraceae Eukaryota UNPD*
NPO20044 Schistostephium crataegifolium Species Asteraceae Eukaryota UNPD*
NPO22541 Channa argus Species Channidae Eukaryota UNPD*
NPO26431 Aplophyllum sieversii NA NA NA UNPD*
NPO16634 Sinularia manaarensis Species Alcyoniidae Eukaryota UNPD*
NPO5824 Hygrophila polysperma Species Acanthaceae Eukaryota UNPD*
NPO16878 Roldana barba-johannis Species Asteraceae Eukaryota UNPD*
NPO14625 Santolina rosmarinifolia Species Asteraceae Eukaryota UNPD*
NPO17763 Lobularia elongata Species Brassicaceae Eukaryota UNPD*
NPO20925 Fusarium culmorum Species Nectriaceae Eukaryota UNPD*
NPO11413 Incarvillea emodi Species Bignoniaceae Eukaryota UNPD*
NPO26136 Abuta racemosa Species Menispermaceae Eukaryota UNPD*
NPO13003 Sogatella furcifera Species Delphacidae Eukaryota UNPD*
NPO26536 Garcinia humilis Species Clusiaceae Eukaryota UNPD*
NPO11979 Bugula neritina Species Bugulidae Eukaryota UNPD*
NPO26783 Jurinea eriobasis Species Asteraceae Eukaryota UNPD*
NPO15579 Mycale laxissima Species Mycalidae Eukaryota UNPD*
NPO14127 Veratrum eschscholtzii Species Melanthiaceae Eukaryota UNPD*
NPO26031 Acacia auriculiformis Species Fabaceae Eukaryota UNPD*
NPO5018 Nervilia fordii Species Orchidaceae Eukaryota UNPD*
NPO19749 Carpolobia glabrescens Species Polygalaceae Eukaryota UNPD*
NPO21419 Biscogniauxia mediterranea Species Xylariaceae Eukaryota UNPD*
NPO16895 Croton sarcopetalus Species Euphorbiaceae Eukaryota UNPD*
NPO16466 Baccharis santelicis Species Asteraceae Eukaryota UNPD*
NPO19608 Aconitum likiangense Species Ranunculaceae Eukaryota UNPD*
NPO18806 Neodilsea yendoana Species Dumontiaceae Eukaryota UNPD*
NPO20469 Acer caesium Species Aceraceae Eukaryota UNPD*
NPO21224 Rubus pinfaensis Species Rosaceae Eukaryota UNPD*
NPO16223 Serratula xeranthemoides Species Asteraceae Eukaryota UNPD*
NPO29072 Tritomaria quinquedentata Species Scapaniaceae Eukaryota UNPD*
NPO21540 Naucleopsis stipularis Species Moraceae Eukaryota UNPD*
NPO16789 Erythrina sandwicensis Species Fabaceae Eukaryota UNPD*
NPO1780 Sphaeria doliolum NA NA NA UNPD*
NPO16120 Swertia decora Species Gentianaceae Eukaryota UNPD*
NPO11702 Plexaurella grisea Species Plexauridae Eukaryota UNPD*
NPO21773 Rothmannia urcelliformis Species Rubiaceae Eukaryota UNPD*
NPO2768 Berchemia floribunda Species Rhamnaceae Eukaryota UNPD*
NPO25745 Grindelia arenicola Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT983 Protein Complex Nuclear factor NF-kappa-B complex Homo sapiens IC100 = 0.05 nM 15537359
NPT721 Individual Protein Nuclear factor NF-kappa-B p65 subunit Homo sapiens IC100 = 0.05 nM 16570920

  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 NPC114979 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
1.0 High Similarity NPC191476
0.9873 High Similarity NPC255307
0.975 High Similarity NPC475461
0.975 High Similarity NPC305475
0.9747 High Similarity NPC96259
0.9747 High Similarity NPC141193
0.9744 High Similarity NPC229825
0.962 High Similarity NPC473390
0.962 High Similarity NPC131669
0.9615 High Similarity NPC24417
0.95 High Similarity NPC476804
0.9383 High Similarity NPC165162
0.9375 High Similarity NPC40746
0.9375 High Similarity NPC169575
0.9367 High Similarity NPC52861
0.9359 High Similarity NPC98557
0.9359 High Similarity NPC167881
0.9286 High Similarity NPC469368
0.9268 High Similarity NPC150755
0.9259 High Similarity NPC158756
0.9231 High Similarity NPC471465
0.9231 High Similarity NPC196653
0.9146 High Similarity NPC470755
0.9136 High Similarity NPC59097
0.9114 High Similarity NPC89128
0.907 High Similarity NPC475838
0.907 High Similarity NPC125674
0.907 High Similarity NPC228451
0.9059 High Similarity NPC475855
0.9048 High Similarity NPC476805
0.9048 High Similarity NPC476803
0.9036 High Similarity NPC469910
0.9012 High Similarity NPC89555
0.8974 High Similarity NPC235906
0.8974 High Similarity NPC68819
0.8966 High Similarity NPC474247
0.8875 High Similarity NPC470239
0.8875 High Similarity NPC470244
0.8861 High Similarity NPC320630
0.8861 High Similarity NPC476028
0.8861 High Similarity NPC7563
0.8861 High Similarity NPC171204
0.8861 High Similarity NPC141789
0.8861 High Similarity NPC116177
0.8851 High Similarity NPC475302
0.8837 High Similarity NPC144133
0.8837 High Similarity NPC179394
0.8837 High Similarity NPC129419
0.8824 High Similarity NPC136879
0.8824 High Similarity NPC475819
0.8824 High Similarity NPC473715
0.8764 High Similarity NPC230800
0.8764 High Similarity NPC279621
0.875 High Similarity NPC108816
0.875 High Similarity NPC93763
0.875 High Similarity NPC57405
0.875 High Similarity NPC303942
0.8721 High Similarity NPC474032
0.8721 High Similarity NPC206001
0.8721 High Similarity NPC268298
0.8721 High Similarity NPC218927
0.8675 High Similarity NPC116543
0.8659 High Similarity NPC141810
0.8659 High Similarity NPC301477
0.8659 High Similarity NPC25684
0.8659 High Similarity NPC470241
0.8659 High Similarity NPC281949
0.8642 High Similarity NPC270126
0.8636 High Similarity NPC288240
0.8636 High Similarity NPC475912
0.8636 High Similarity NPC295204
0.8636 High Similarity NPC162205
0.8636 High Similarity NPC273579
0.8621 High Similarity NPC474232
0.8608 High Similarity NPC155587
0.8605 High Similarity NPC477302
0.859 High Similarity NPC295633
0.859 High Similarity NPC58956
0.859 High Similarity NPC269206
0.8588 High Similarity NPC50637
0.8537 High Similarity NPC281132
0.8523 High Similarity NPC473321
0.8519 High Similarity NPC267231
0.8506 High Similarity NPC295312
0.8478 Intermediate Similarity NPC288876
0.8471 Intermediate Similarity NPC261380
0.8452 Intermediate Similarity NPC250315
0.8452 Intermediate Similarity NPC474703
0.8444 Intermediate Similarity NPC304886
0.8444 Intermediate Similarity NPC471141
0.8444 Intermediate Similarity NPC471142
0.8444 Intermediate Similarity NPC270013
0.8444 Intermediate Similarity NPC36954
0.8444 Intermediate Similarity NPC14961
0.8427 Intermediate Similarity NPC469645
0.8427 Intermediate Similarity NPC469692
0.8415 Intermediate Similarity NPC617
0.8409 Intermediate Similarity NPC473619
0.8395 Intermediate Similarity NPC97516
0.8395 Intermediate Similarity NPC470240
0.8395 Intermediate Similarity NPC65603
0.8395 Intermediate Similarity NPC476794
0.8391 Intermediate Similarity NPC202672
0.837 Intermediate Similarity NPC473326
0.8352 Intermediate Similarity NPC473859
0.8352 Intermediate Similarity NPC476315
0.8333 Intermediate Similarity NPC121825
0.8333 Intermediate Similarity NPC474035
0.8333 Intermediate Similarity NPC470013
0.8333 Intermediate Similarity NPC474338
0.8333 Intermediate Similarity NPC470010
0.8333 Intermediate Similarity NPC323008
0.8333 Intermediate Similarity NPC262133
0.8333 Intermediate Similarity NPC81386
0.8315 Intermediate Similarity NPC111114
0.8315 Intermediate Similarity NPC131209
0.8315 Intermediate Similarity NPC300312
0.8315 Intermediate Similarity NPC261607
0.8315 Intermediate Similarity NPC184463
0.8315 Intermediate Similarity NPC30515
0.8295 Intermediate Similarity NPC166919
0.8276 Intermediate Similarity NPC160138
0.8276 Intermediate Similarity NPC237540
0.8256 Intermediate Similarity NPC21469
0.825 Intermediate Similarity NPC476590
0.825 Intermediate Similarity NPC140287
0.825 Intermediate Similarity NPC114727
0.825 Intermediate Similarity NPC476355
0.8242 Intermediate Similarity NPC52044
0.8242 Intermediate Similarity NPC475659
0.8242 Intermediate Similarity NPC477922
0.8242 Intermediate Similarity NPC170120
0.8228 Intermediate Similarity NPC163003
0.8228 Intermediate Similarity NPC129665
0.8222 Intermediate Similarity NPC81419
0.8222 Intermediate Similarity NPC179746
0.8222 Intermediate Similarity NPC212486
0.8222 Intermediate Similarity NPC476300
0.8214 Intermediate Similarity NPC325031
0.8202 Intermediate Similarity NPC474761
0.8202 Intermediate Similarity NPC51004
0.8202 Intermediate Similarity NPC473448
0.8202 Intermediate Similarity NPC476004
0.8193 Intermediate Similarity NPC19841
0.8172 Intermediate Similarity NPC141191
0.8172 Intermediate Similarity NPC187268
0.8171 Intermediate Similarity NPC41780
0.8171 Intermediate Similarity NPC474760
0.8171 Intermediate Similarity NPC187568
0.8161 Intermediate Similarity NPC261721
0.8161 Intermediate Similarity NPC469483
0.8161 Intermediate Similarity NPC107787
0.8152 Intermediate Similarity NPC477921
0.8148 Intermediate Similarity NPC138408
0.8148 Intermediate Similarity NPC226669
0.8148 Intermediate Similarity NPC193351
0.814 Intermediate Similarity NPC295799
0.814 Intermediate Similarity NPC165287
0.814 Intermediate Similarity NPC159635
0.814 Intermediate Similarity NPC115786
0.814 Intermediate Similarity NPC156485
0.814 Intermediate Similarity NPC82297
0.8132 Intermediate Similarity NPC167219
0.8132 Intermediate Similarity NPC477131
0.8132 Intermediate Similarity NPC198853
0.8118 Intermediate Similarity NPC85772
0.8118 Intermediate Similarity NPC474252
0.8111 Intermediate Similarity NPC475925
0.8111 Intermediate Similarity NPC133698
0.8111 Intermediate Similarity NPC208886
0.8111 Intermediate Similarity NPC12172
0.8105 Intermediate Similarity NPC471148
0.809 Intermediate Similarity NPC151770
0.809 Intermediate Similarity NPC307411
0.8065 Intermediate Similarity NPC161493
0.8065 Intermediate Similarity NPC169205
0.8049 Intermediate Similarity NPC123360
0.8046 Intermediate Similarity NPC78089
0.8043 Intermediate Similarity NPC193645
0.8043 Intermediate Similarity NPC48803
0.8043 Intermediate Similarity NPC67584
0.8043 Intermediate Similarity NPC90121
0.8043 Intermediate Similarity NPC213698
0.8043 Intermediate Similarity NPC275960
0.8025 Intermediate Similarity NPC472966
0.8025 Intermediate Similarity NPC48641
0.8 Intermediate Similarity NPC71533
0.8 Intermediate Similarity NPC106510
0.8 Intermediate Similarity NPC110443
0.8 Intermediate Similarity NPC150923
0.8 Intermediate Similarity NPC128733
0.8 Intermediate Similarity NPC185141
0.8 Intermediate Similarity NPC46998
0.8 Intermediate Similarity NPC312042
0.8 Intermediate Similarity NPC471325
0.8 Intermediate Similarity NPC164598
0.8 Intermediate Similarity NPC474339
0.8 Intermediate Similarity NPC473332
0.8 Intermediate Similarity NPC133907
0.7979 Intermediate Similarity NPC471144

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC114979 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
0.8043 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7841 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.7816 Intermediate Similarity NPD7154 Phase 3
0.7609 Intermediate Similarity NPD6698 Approved
0.7609 Intermediate Similarity NPD46 Approved
0.7609 Intermediate Similarity NPD5785 Approved
0.75 Intermediate Similarity NPD1695 Approved
0.7471 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD5363 Approved
0.7423 Intermediate Similarity NPD4225 Approved
0.7416 Intermediate Similarity NPD5362 Discontinued
0.7303 Intermediate Similarity NPD4270 Approved
0.7303 Intermediate Similarity NPD4269 Approved
0.7273 Intermediate Similarity NPD4821 Approved
0.7273 Intermediate Similarity NPD4822 Approved
0.7273 Intermediate Similarity NPD4819 Approved
0.7273 Intermediate Similarity NPD4820 Approved
0.7255 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD6082 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD1694 Approved
0.7241 Intermediate Similarity NPD4268 Approved
0.7241 Intermediate Similarity NPD4271 Approved
0.7234 Intermediate Similarity NPD7838 Discovery
0.7212 Intermediate Similarity NPD6371 Approved
0.7174 Intermediate Similarity NPD5786 Approved
0.7174 Intermediate Similarity NPD4249 Approved
0.7158 Intermediate Similarity NPD7983 Approved
0.7111 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD6435 Approved
0.7097 Intermediate Similarity NPD4250 Approved
0.7097 Intermediate Similarity NPD4251 Approved
0.7083 Intermediate Similarity NPD5779 Approved
0.7083 Intermediate Similarity NPD5778 Approved
0.7079 Intermediate Similarity NPD4252 Approved
0.7045 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5369 Approved
0.6981 Remote Similarity NPD8413 Clinical (unspecified phase)
0.69 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6889 Remote Similarity NPD5368 Approved
0.6857 Remote Similarity NPD6686 Approved
0.6848 Remote Similarity NPD5331 Approved
0.6848 Remote Similarity NPD5332 Approved
0.6813 Remote Similarity NPD4790 Discontinued
0.6774 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6771 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6771 Remote Similarity NPD6101 Approved
0.6735 Remote Similarity NPD6399 Phase 3
0.67 Remote Similarity NPD7839 Suspended
0.6667 Remote Similarity NPD7115 Discovery
0.6667 Remote Similarity NPD5282 Discontinued
0.6667 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD7639 Approved
0.6633 Remote Similarity NPD6411 Approved
0.6627 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6606 Remote Similarity NPD6053 Discontinued
0.6602 Remote Similarity NPD5344 Discontinued
0.6598 Remote Similarity NPD5370 Suspended
0.6569 Remote Similarity NPD7638 Approved
0.6559 Remote Similarity NPD5209 Approved
0.6556 Remote Similarity NPD4756 Discovery
0.6517 Remote Similarity NPD8039 Approved
0.6465 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6465 Remote Similarity NPD7637 Suspended
0.6346 Remote Similarity NPD6648 Approved
0.6311 Remote Similarity NPD6084 Phase 2
0.6311 Remote Similarity NPD6083 Phase 2
0.6311 Remote Similarity NPD7902 Approved
0.6296 Remote Similarity NPD5697 Approved
0.6293 Remote Similarity NPD8515 Approved
0.6293 Remote Similarity NPD8513 Phase 3
0.6293 Remote Similarity NPD8516 Approved
0.6293 Remote Similarity NPD8517 Approved
0.6275 Remote Similarity NPD5695 Phase 3
0.625 Remote Similarity NPD5696 Approved
0.6239 Remote Similarity NPD6881 Approved
0.6239 Remote Similarity NPD6899 Approved
0.6216 Remote Similarity NPD6649 Approved
0.6216 Remote Similarity NPD6650 Approved
0.6211 Remote Similarity NPD3667 Approved
0.6204 Remote Similarity NPD6675 Approved
0.6204 Remote Similarity NPD7128 Approved
0.6204 Remote Similarity NPD5739 Approved
0.6204 Remote Similarity NPD6402 Approved
0.6182 Remote Similarity NPD6372 Approved
0.6182 Remote Similarity NPD6013 Approved
0.6182 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6182 Remote Similarity NPD6014 Approved
0.6182 Remote Similarity NPD6373 Approved
0.6182 Remote Similarity NPD6012 Approved
0.6176 Remote Similarity NPD7748 Approved
0.6147 Remote Similarity NPD5701 Approved
0.6145 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6139 Remote Similarity NPD7515 Phase 2
0.6126 Remote Similarity NPD6883 Approved
0.6126 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6126 Remote Similarity NPD7102 Approved
0.6126 Remote Similarity NPD7290 Approved
0.6122 Remote Similarity NPD7521 Approved
0.6122 Remote Similarity NPD5330 Approved
0.6122 Remote Similarity NPD6422 Discontinued
0.6122 Remote Similarity NPD7146 Approved
0.6122 Remote Similarity NPD7334 Approved
0.6122 Remote Similarity NPD6409 Approved
0.6122 Remote Similarity NPD6684 Approved
0.6122 Remote Similarity NPD3618 Phase 1
0.6118 Remote Similarity NPD3197 Phase 1
0.6092 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6091 Remote Similarity NPD6011 Approved
0.6091 Remote Similarity NPD7320 Approved
0.6082 Remote Similarity NPD3665 Phase 1
0.6082 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6082 Remote Similarity NPD4786 Approved
0.6082 Remote Similarity NPD3133 Approved
0.6082 Remote Similarity NPD3666 Approved
0.6075 Remote Similarity NPD5211 Phase 2
0.6075 Remote Similarity NPD7632 Discontinued
0.6071 Remote Similarity NPD6617 Approved
0.6071 Remote Similarity NPD6847 Approved
0.6071 Remote Similarity NPD6869 Approved
0.6071 Remote Similarity NPD8130 Phase 1
0.6071 Remote Similarity NPD368 Approved
0.6033 Remote Similarity NPD8074 Phase 3
0.6019 Remote Similarity NPD6647 Phase 2
0.6019 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6019 Remote Similarity NPD7900 Approved
0.6018 Remote Similarity NPD8297 Approved
0.6018 Remote Similarity NPD6882 Approved
0.6 Remote Similarity NPD5737 Approved
0.6 Remote Similarity NPD6672 Approved
0.6 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6 Remote Similarity NPD6903 Approved
0.6 Remote Similarity NPD4695 Discontinued
0.598 Remote Similarity NPD5693 Phase 1
0.598 Remote Similarity NPD5284 Approved
0.598 Remote Similarity NPD5281 Approved
0.598 Remote Similarity NPD8034 Phase 2
0.598 Remote Similarity NPD8035 Phase 2
0.5979 Remote Similarity NPD6695 Phase 3
0.5977 Remote Similarity NPD7331 Phase 2
0.5963 Remote Similarity NPD5141 Approved
0.5962 Remote Similarity NPD4629 Approved
0.5962 Remote Similarity NPD5210 Approved
0.596 Remote Similarity NPD5279 Phase 3
0.5941 Remote Similarity NPD4753 Phase 2
0.5929 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5926 Remote Similarity NPD342 Phase 1
0.5909 Remote Similarity NPD6008 Approved
0.5905 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5888 Remote Similarity NPD5285 Approved
0.5888 Remote Similarity NPD5286 Approved
0.5888 Remote Similarity NPD4696 Approved
0.5875 Remote Similarity NPD3172 Approved
0.5862 Remote Similarity NPD7341 Phase 2
0.5862 Remote Similarity NPD6274 Approved
0.5859 Remote Similarity NPD1696 Phase 3
0.5856 Remote Similarity NPD6412 Phase 2
0.5856 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5849 Remote Similarity NPD4755 Approved
0.5841 Remote Similarity NPD6420 Discontinued
0.5841 Remote Similarity NPD2067 Discontinued
0.5825 Remote Similarity NPD6079 Approved
0.582 Remote Similarity NPD7507 Approved
0.582 Remote Similarity NPD8273 Phase 1
0.5816 Remote Similarity NPD6110 Phase 1
0.5814 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5812 Remote Similarity NPD7505 Discontinued
0.581 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5802 Remote Similarity NPD3194 Approved
0.5802 Remote Similarity NPD3195 Phase 2
0.5802 Remote Similarity NPD3196 Approved
0.5802 Remote Similarity NPD4266 Approved
0.58 Remote Similarity NPD4519 Discontinued
0.58 Remote Similarity NPD4623 Approved
0.5795 Remote Similarity NPD3704 Approved
0.5789 Remote Similarity NPD2181 Clinical (unspecified phase)
0.5789 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5789 Remote Similarity NPD3732 Approved
0.5785 Remote Similarity NPD7642 Approved
0.5785 Remote Similarity NPD7829 Approved
0.5785 Remote Similarity NPD7830 Approved
0.5784 Remote Similarity NPD6051 Approved
0.5784 Remote Similarity NPD5328 Approved
0.578 Remote Similarity NPD5224 Approved
0.578 Remote Similarity NPD5225 Approved
0.578 Remote Similarity NPD5226 Approved
0.578 Remote Similarity NPD4633 Approved
0.5773 Remote Similarity NPD857 Phase 3
0.5769 Remote Similarity NPD4202 Approved
0.5769 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5763 Remote Similarity NPD7641 Discontinued
0.5758 Remote Similarity NPD3668 Phase 3
0.5755 Remote Similarity NPD4697 Phase 3
0.5755 Remote Similarity NPD5222 Approved
0.5755 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5755 Remote Similarity NPD4228 Discovery
0.5755 Remote Similarity NPD5221 Approved
0.5752 Remote Similarity NPD6413 Approved
0.575 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5743 Remote Similarity NPD7750 Discontinued
0.5743 Remote Similarity NPD7524 Approved

Structure

External Identifiers

PubChem CID   14191260
ChEMBL   CHEMBL191412
ZINC  

Physicochemical Properties

Molecular Weight:  264.14
ALogP:  0.3058
MLogP:  2.67
XLogP:  0.293
# Rotatable Bonds:  3
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  19

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Biological Activities  
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