Natural Product: NPC265513

Natural Product ID:  NPC265513
Common Name:   7-Oxodehydroabietinol
IUPAC Name:   (1R,4aS,10aR)-1-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Synonyms:   7-Oxodehydroabietinol
Molecular Formula:   C20H28O2
Standard InCHIKey:  PRZSMDYEVUSNJM-SLFFLAALSA-N
Standard InCHI:  InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1
Canonical SMILES:  OC[C@]1(C)CCC[C@]2([C@H]1CC(=O)c1c2ccc(c1)C(C)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
NPO24144 Ophiomastix mixta Species Ophiocomidae Eukaryota UNPD*
NPO5205 Gymnoascus reesii Species Gymnoascaceae Eukaryota UNPD*
NPO22470 Corynebacterium glutamicum Species Corynebacteriaceae Bacteria UNPD*
NPO28213 Humicola grisea Species Chaetomiaceae Eukaryota UNPD*
NPO21179 Streptomyces griseoaurantiacus Species Streptomycetaceae Bacteria UNPD*
NPO13308 Polycitor adriaticus Species Polycitoridae Eukaryota UNPD*
NPO4144 Scutia buxifolia Species Rhamnaceae Eukaryota UNPD*
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota UNPD*
NPO1191 Castanea mollissima Species Fagaceae Eukaryota UNPD*
NPO28623 Phlox decussata Species Polemoniaceae Eukaryota UNPD*
NPO20619 Ougeinia dalbergioides NA NA NA UNPD*
NPO21014 Brucea antidysenterica Species Simaroubaceae Eukaryota UNPD*
NPO28877 Scutellaria baicalensis Species Lamiaceae Eukaryota UNPD*
NPO11832 Pinus banksiana Species Pinaceae Eukaryota UNPD*
NPO27988 Salvia pisidica Species Lamiaceae Eukaryota UNPD*
NPO28842 Oscillatoria raoi Species Oscillatoriaceae Bacteria UNPD*
NPO18881 Loropetalum chinense Species Hamamelidaceae Eukaryota UNPD*
NPO22530 Vigna luteola Species Fabaceae Eukaryota UNPD*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota UNPD*
NPO12895 Polypodiodes niponica Species Polypodiaceae Eukaryota UNPD*
NPO3102 Arachniodes exilis Species Dryopteridaceae Eukaryota UNPD*
NPO3762 Amentotaxus argotaenia Species Taxaceae Eukaryota UNPD*
NPO28830 Acronychia haplophylla Species Rutaceae Eukaryota UNPD*
NPO28266 Phlomis ostrowskiana Species Lamiaceae Eukaryota UNPD*
NPO17288 Piliostigma thonningii Species Fabaceae Eukaryota UNPD*
NPO22147 Goniothalamus macrophyllus Species Annonaceae Eukaryota UNPD*
NPO28895 Pinus monticola Species Pinaceae Eukaryota UNPD*
NPO19502 Squamopappus skutchii Species Asteraceae Eukaryota UNPD*
NPO28145 Dendrodoris limbata Species Dendrodorididae Eukaryota UNPD*
NPO24010 Buglossoides arvensis Species Boraginaceae Eukaryota UNPD*
NPO28489 Euphrasia regelii Species Orobanchaceae Eukaryota UNPD*
NPO28501 Hortonia angustifolia Species Monimiaceae Eukaryota UNPD*
NPO28435 Solanum crinitum Species Solanaceae Eukaryota UNPD*
NPO14130 Phagnalon rupestre Species Asteraceae Eukaryota UNPD*
NPO28112 Amauris niavius Species Nymphalidae Eukaryota UNPD*
NPO27927 Alligator sinensis Species Alligatoridae Eukaryota UNPD*
NPO28739 Othonna macrophylla Species Asteraceae Eukaryota UNPD*
NPO28127 Ursinia speciosa Species Asteraceae Eukaryota UNPD*
NPO12322 Amomum krervanh Species Zingiberaceae Eukaryota UNPD*
NPO28669 Cuscuta australis Species Convolvulaceae Eukaryota UNPD*
NPO28171 Anacyclus pyrethrum Species Asteraceae Eukaryota UNPD*
NPO23092 Ammodendron karelinii Species Fabaceae Eukaryota UNPD*
NPO28545 Scymnorhinus lichia NA NA NA UNPD*
NPO15469 Myodocarpus gracilis Species Myodocarpaceae Eukaryota UNPD*
NPO22968 Elaeocarpus serratus Species Elaeocarpaceae Eukaryota UNPD*
NPO822 Cressa cretica Species Convolvulaceae Eukaryota UNPD*
NPO28559 Julbernardia globifera Species Fabaceae Eukaryota UNPD*
NPO28196 Brachylaena perrieri Species Asteraceae Eukaryota UNPD*
NPO21894 Psychotria granadensis Species Rubiaceae Eukaryota UNPD*
NPO6953.1 Aconitum sachalinense subsp. yezoense Subspecies Ranunculaceae Eukaryota UNPD*
NPO28855 Salix petiolaris Species Salicaceae Eukaryota UNPD*
NPO28701 Salvia lanigera Species Lamiaceae Eukaryota UNPD*
NPO9311 Parkia clappertoniana Species Fabaceae Eukaryota UNPD*
NPO28778 Eucalyptus viminalis Species Myrtaceae Eukaryota UNPD*
NPO28688 Aster tataricus Species Asteraceae Eukaryota UNPD*
NPO21704 Papaver suaveolens Species Papaveraceae Eukaryota UNPD*
NPO28326 Uncaria longiflora Species Rubiaceae Eukaryota UNPD*
NPO21165 Phagnalon atlanticum Species Asteraceae Eukaryota UNPD*
NPO28641 Tubocapsicum anomalum Species Solanaceae Eukaryota UNPD*
NPO14307 Rhizopus oryzae Species Rhizopodaceae Eukaryota UNPD*
NPO27968 Phoma linga Species Didymellaceae Eukaryota UNPD*
NPO28765 Miliusa balansae Species Annonaceae Eukaryota UNPD*
NPO28337 Pimpinella peregrina Species Apiaceae Eukaryota UNPD*
NPO28065 Pentachondra pumila Species Ericaceae Eukaryota UNPD*
NPO28414 Medicosma fareana Species Rutaceae Eukaryota UNPD*
NPO10177 Eria linearifolia Species Orchidaceae Eukaryota UNPD*
NPO28578 Uperoleia inundata Species Myobatrachidae Eukaryota UNPD*
NPO28464 Mentha sylvestris Species Lamiaceae Eukaryota UNPD*
NPO27880 Mimusops laurifolia Species Sapotaceae Eukaryota UNPD*
NPO20425 Epimedium macranthum Species Berberidaceae Eukaryota UNPD*
NPO23157 Wigandia kunthii Species Namaceae Eukaryota UNPD*
NPO2882 Abies georgei Species Pinaceae Eukaryota Aerial parts Zhongdian city, Yunnan Province of China PMID[20022253]
NPO9522 Pericopsis angolensis Species Fabaceae Eukaryota UNPD*
NPO28932 Myrrhis odorata Species Apiaceae Eukaryota UNPD*
NPO10588 Diploschistes violarius Species Graphidaceae Eukaryota UNPD*
NPO28384 Ascotricha chartarum Species Xylariaceae Eukaryota UNPD*
NPO21547 Crinum giganteum Species Amaryllidaceae Eukaryota UNPD*
NPO17292 Asparagus racemosus Species Asparagaceae Eukaryota UNPD*
NPO9051 Delesseria sanguinea Species Delesseriaceae Eukaryota UNPD*
NPO28280 Cetraria komarovii Species Parmeliaceae Eukaryota UNPD*
NPO28233 Diplotropis ferruginea Species Fabaceae Eukaryota UNPD*
NPO23194 Berberis beaniana Species Berberidaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 100 ug/ml 20022253
NPT2 Others Unspecified IC50 > 100 ug/ml 20022253
NPT114 Cell Line LoVo Homo sapiens IC50 > 25 ug/ml 20022253
NPT2 Others Unspecified IC50 > 25 ug/ml 20022253
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 27 ug/ml 19892441
NPT165 Cell Line HeLa Homo sapiens IC50 = 30 ug/ml 19892441
NPT15 Cell Line Jurkat Homo sapiens IC50 = 17 ug/ml 19892441
NPT189 Cell Line Vero Chlorocebus aethiops Ratio IC50 = 0.9 19892441
NPT189 Cell Line Vero Chlorocebus aethiops Ratio IC50 = 1.6 19892441
NPT189 Cell Line Vero Chlorocebus aethiops CC100 = 25 ug/ml 19892441

  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 NPC265513 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
0.9623 High Similarity NPC215419
0.9434 High Similarity NPC470253
0.9252 High Similarity NPC93287
0.9135 High Similarity NPC471186
0.9018 High Similarity NPC202015
0.9018 High Similarity NPC476645
0.9009 High Similarity NPC80605
0.9009 High Similarity NPC323440
0.9009 High Similarity NPC222968
0.8991 High Similarity NPC471721
0.8981 High Similarity NPC280789
0.8942 High Similarity NPC247976
0.8899 High Similarity NPC143768
0.8761 High Similarity NPC318173
0.8725 High Similarity NPC185208
0.8725 High Similarity NPC219573
0.8696 High Similarity NPC472981
0.8692 High Similarity NPC100767
0.8692 High Similarity NPC94751
0.8692 High Similarity NPC142326
0.8649 High Similarity NPC196673
0.8641 High Similarity NPC239185
0.8636 High Similarity NPC471188
0.8636 High Similarity NPC471189
0.8636 High Similarity NPC218855
0.8611 High Similarity NPC112903
0.8571 High Similarity NPC133809
0.8571 High Similarity NPC476993
0.8571 High Similarity NPC136810
0.8571 High Similarity NPC128248
0.8558 High Similarity NPC134882
0.8534 High Similarity NPC476234
0.8519 High Similarity NPC83409
0.8519 High Similarity NPC185763
0.8482 Intermediate Similarity NPC326664
0.8482 Intermediate Similarity NPC130591
0.8482 Intermediate Similarity NPC234637
0.8475 Intermediate Similarity NPC85511
0.8475 Intermediate Similarity NPC328107
0.8468 Intermediate Similarity NPC292834
0.8462 Intermediate Similarity NPC269923
0.8462 Intermediate Similarity NPC265220
0.8462 Intermediate Similarity NPC167323
0.8448 Intermediate Similarity NPC472679
0.8448 Intermediate Similarity NPC472680
0.8431 Intermediate Similarity NPC323420
0.8396 Intermediate Similarity NPC109514
0.8396 Intermediate Similarity NPC225079
0.8393 Intermediate Similarity NPC471481
0.8381 Intermediate Similarity NPC75724
0.8364 Intermediate Similarity NPC470252
0.8347 Intermediate Similarity NPC478165
0.8347 Intermediate Similarity NPC51448
0.8347 Intermediate Similarity NPC115797
0.8347 Intermediate Similarity NPC478162
0.8333 Intermediate Similarity NPC220596
0.8333 Intermediate Similarity NPC329282
0.8319 Intermediate Similarity NPC472681
0.8304 Intermediate Similarity NPC186128
0.8302 Intermediate Similarity NPC221825
0.8276 Intermediate Similarity NPC472697
0.8276 Intermediate Similarity NPC472698
0.8269 Intermediate Similarity NPC260233
0.8261 Intermediate Similarity NPC469843
0.8257 Intermediate Similarity NPC172483
0.8252 Intermediate Similarity NPC59677
0.8252 Intermediate Similarity NPC153885
0.8241 Intermediate Similarity NPC329556
0.8214 Intermediate Similarity NPC474057
0.8208 Intermediate Similarity NPC49994
0.8173 Intermediate Similarity NPC238219
0.8173 Intermediate Similarity NPC289883
0.8167 Intermediate Similarity NPC318067
0.8155 Intermediate Similarity NPC133461
0.8137 Intermediate Similarity NPC298115
0.8113 Intermediate Similarity NPC226041
0.8113 Intermediate Similarity NPC324602
0.8103 Intermediate Similarity NPC212891
0.8091 Intermediate Similarity NPC134120
0.808 Intermediate Similarity NPC471851
0.8077 Intermediate Similarity NPC155232
0.8073 Intermediate Similarity NPC274443
0.8053 Intermediate Similarity NPC475002
0.8053 Intermediate Similarity NPC95126
0.8034 Intermediate Similarity NPC61651
0.8018 Intermediate Similarity NPC37914
0.8017 Intermediate Similarity NPC9274
0.8 Intermediate Similarity NPC67377
0.7983 Intermediate Similarity NPC183339
0.7983 Intermediate Similarity NPC133389
0.7983 Intermediate Similarity NPC77000
0.7983 Intermediate Similarity NPC234337
0.7983 Intermediate Similarity NPC238861
0.7982 Intermediate Similarity NPC222390
0.7982 Intermediate Similarity NPC244427
0.7982 Intermediate Similarity NPC66208
0.7981 Intermediate Similarity NPC125226
0.7953 Intermediate Similarity NPC78307
0.7949 Intermediate Similarity NPC158157
0.7946 Intermediate Similarity NPC21929
0.7931 Intermediate Similarity NPC217111
0.7931 Intermediate Similarity NPC93181
0.7931 Intermediate Similarity NPC221275
0.7931 Intermediate Similarity NPC186933
0.7931 Intermediate Similarity NPC474095
0.7909 Intermediate Similarity NPC475939
0.7909 Intermediate Similarity NPC472691
0.7909 Intermediate Similarity NPC471829
0.7909 Intermediate Similarity NPC474866
0.7909 Intermediate Similarity NPC19856
0.7905 Intermediate Similarity NPC188844
0.7905 Intermediate Similarity NPC1682
0.7903 Intermediate Similarity NPC176130
0.7903 Intermediate Similarity NPC84672
0.7903 Intermediate Similarity NPC78364
0.7903 Intermediate Similarity NPC69424
0.7899 Intermediate Similarity NPC204784
0.7895 Intermediate Similarity NPC137315
0.7891 Intermediate Similarity NPC202225
0.7891 Intermediate Similarity NPC23894
0.7886 Intermediate Similarity NPC328997
0.7886 Intermediate Similarity NPC294050
0.7885 Intermediate Similarity NPC277277
0.7885 Intermediate Similarity NPC19256
0.7885 Intermediate Similarity NPC173413
0.7881 Intermediate Similarity NPC45794
0.787 Intermediate Similarity NPC329387
0.787 Intermediate Similarity NPC317280
0.7864 Intermediate Similarity NPC267262
0.7863 Intermediate Similarity NPC260886
0.7857 Intermediate Similarity NPC471334
0.7851 Intermediate Similarity NPC293831
0.7851 Intermediate Similarity NPC369
0.7845 Intermediate Similarity NPC294458
0.7843 Intermediate Similarity NPC160339
0.7843 Intermediate Similarity NPC307
0.7823 Intermediate Similarity NPC146239
0.7823 Intermediate Similarity NPC470648
0.7812 Intermediate Similarity NPC477139
0.781 Intermediate Similarity NPC284475
0.7805 Intermediate Similarity NPC295664
0.7788 Intermediate Similarity NPC211439
0.7788 Intermediate Similarity NPC203732
0.7788 Intermediate Similarity NPC470007
0.7778 Intermediate Similarity NPC228936
0.7778 Intermediate Similarity NPC274839
0.7778 Intermediate Similarity NPC276238
0.7769 Intermediate Similarity NPC144547
0.7767 Intermediate Similarity NPC69057
0.776 Intermediate Similarity NPC472678
0.776 Intermediate Similarity NPC316553
0.776 Intermediate Similarity NPC72667
0.7757 Intermediate Similarity NPC472880
0.7752 Intermediate Similarity NPC474659
0.7742 Intermediate Similarity NPC470765
0.7742 Intermediate Similarity NPC275576
0.7731 Intermediate Similarity NPC268930
0.7727 Intermediate Similarity NPC472879
0.7724 Intermediate Similarity NPC51079
0.7724 Intermediate Similarity NPC325740
0.7719 Intermediate Similarity NPC318327
0.7717 Intermediate Similarity NPC108129
0.7712 Intermediate Similarity NPC135730
0.771 Intermediate Similarity NPC475957
0.7699 Intermediate Similarity NPC85560
0.7699 Intermediate Similarity NPC244933
0.7699 Intermediate Similarity NPC472700
0.7699 Intermediate Similarity NPC472699
0.7698 Intermediate Similarity NPC3009
0.7692 Intermediate Similarity NPC153308
0.7692 Intermediate Similarity NPC241851
0.7692 Intermediate Similarity NPC157778
0.7686 Intermediate Similarity NPC232958
0.7686 Intermediate Similarity NPC289432
0.7686 Intermediate Similarity NPC988
0.768 Intermediate Similarity NPC473220
0.768 Intermediate Similarity NPC169913
0.768 Intermediate Similarity NPC474106
0.768 Intermediate Similarity NPC470753
0.768 Intermediate Similarity NPC254492
0.7679 Intermediate Similarity NPC56168
0.7674 Intermediate Similarity NPC310662
0.7674 Intermediate Similarity NPC126516
0.7661 Intermediate Similarity NPC472693
0.7661 Intermediate Similarity NPC472694
0.7656 Intermediate Similarity NPC476847
0.7642 Intermediate Similarity NPC103346
0.7642 Intermediate Similarity NPC187725
0.7642 Intermediate Similarity NPC141607
0.7638 Intermediate Similarity NPC171460
0.7638 Intermediate Similarity NPC303910
0.7636 Intermediate Similarity NPC54647
0.7632 Intermediate Similarity NPC472696
0.7632 Intermediate Similarity NPC27252
0.7632 Intermediate Similarity NPC472683
0.7632 Intermediate Similarity NPC472979
0.7632 Intermediate Similarity NPC472701
0.7632 Intermediate Similarity NPC472695
0.7627 Intermediate Similarity NPC476357
0.7619 Intermediate Similarity NPC418308

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC265513 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
0.8889 High Similarity NPD4141 Clinical (unspecified phase)
0.8641 High Similarity NPD3495 Discontinued
0.8407 Intermediate Similarity NPD5951 Approved
0.8348 Intermediate Similarity NPD7610 Discontinued
0.8241 Intermediate Similarity NPD1929 Approved
0.8241 Intermediate Similarity NPD1930 Approved
0.8241 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.8131 Intermediate Similarity NPD2066 Phase 3
0.812 Intermediate Similarity NPD7009 Phase 2
0.7983 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7983 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7982 Intermediate Similarity NPD1932 Approved
0.7905 Intermediate Similarity NPD7631 Approved
0.7876 Intermediate Similarity NPD2329 Discontinued
0.781 Intermediate Similarity NPD7609 Phase 3
0.7778 Intermediate Similarity NPD7008 Discontinued
0.7778 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7769 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD7094 Approved
0.7759 Intermediate Similarity NPD6858 Approved
0.7664 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7656 Intermediate Similarity NPD7961 Discontinued
0.7623 Intermediate Similarity NPD4879 Approved
0.7596 Intermediate Similarity NPD650 Approved
0.757 Intermediate Similarity NPD1088 Approved
0.7565 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7522 Intermediate Similarity NPD1237 Approved
0.7431 Intermediate Similarity NPD1693 Approved
0.7431 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD3317 Approved
0.7383 Intermediate Similarity NPD1090 Approved
0.7383 Intermediate Similarity NPD1086 Approved
0.7383 Intermediate Similarity NPD1089 Approved
0.736 Intermediate Similarity NPD4878 Approved
0.735 Intermediate Similarity NPD1317 Discontinued
0.729 Intermediate Similarity NPD800 Approved
0.7258 Intermediate Similarity NPD3019 Approved
0.7248 Intermediate Similarity NPD1508 Approved
0.7207 Intermediate Similarity NPD1989 Approved
0.719 Intermediate Similarity NPD2629 Approved
0.7184 Intermediate Similarity NPD942 Approved
0.7156 Intermediate Similarity NPD1239 Approved
0.7143 Intermediate Similarity NPD1566 Phase 3
0.7143 Intermediate Similarity NPD1564 Approved
0.7143 Intermediate Similarity NPD1565 Approved
0.713 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD6647 Phase 2
0.7122 Intermediate Similarity NPD7236 Approved
0.712 Intermediate Similarity NPD4199 Phase 3
0.712 Intermediate Similarity NPD2932 Approved
0.712 Intermediate Similarity NPD2345 Approved
0.7117 Intermediate Similarity NPD6048 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD6049 Phase 2
0.7107 Intermediate Similarity NPD6010 Discontinued
0.7103 Intermediate Similarity NPD1087 Approved
0.7101 Intermediate Similarity NPD7003 Approved
0.7083 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD5909 Discontinued
0.7054 Intermediate Similarity NPD1843 Approved
0.704 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD1201 Approved
0.7 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.6993 Remote Similarity NPD7239 Suspended
0.6972 Remote Similarity NPD5346 Phase 2
0.6972 Remote Similarity NPD5347 Phase 2
0.6953 Remote Similarity NPD3972 Approved
0.695 Remote Similarity NPD8165 Discontinued
0.6947 Remote Similarity NPD7084 Phase 3
0.6929 Remote Similarity NPD3023 Approved
0.6929 Remote Similarity NPD3026 Approved
0.6923 Remote Similarity NPD1470 Approved
0.6909 Remote Similarity NPD3672 Approved
0.6909 Remote Similarity NPD3673 Approved
0.6905 Remote Similarity NPD3024 Approved
0.6905 Remote Similarity NPD3025 Approved
0.6899 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6899 Remote Similarity NPD5159 Phase 2
0.6899 Remote Similarity NPD5157 Phase 1
0.6875 Remote Similarity NPD1563 Approved
0.6875 Remote Similarity NPD6287 Discontinued
0.687 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6857 Remote Similarity NPD226 Approved
0.6853 Remote Similarity NPD6273 Approved
0.685 Remote Similarity NPD5836 Discontinued
0.6846 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6833 Remote Similarity NPD2182 Approved
0.6828 Remote Similarity NPD7458 Discontinued
0.6791 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6789 Remote Similarity NPD4793 Discontinued
0.6763 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6762 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6752 Remote Similarity NPD2193 Phase 2
0.6752 Remote Similarity NPD2648 Phase 3
0.6741 Remote Similarity NPD7713 Phase 3
0.6741 Remote Similarity NPD7714 Approved
0.6741 Remote Similarity NPD6663 Approved
0.6741 Remote Similarity NPD7715 Approved
0.6739 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6729 Remote Similarity NPD9491 Approved
0.6724 Remote Similarity NPD7798 Approved
0.6723 Remote Similarity NPD1018 Approved
0.6723 Remote Similarity NPD5048 Discontinued
0.672 Remote Similarity NPD4198 Discontinued
0.6716 Remote Similarity NPD6966 Discovery
0.6695 Remote Similarity NPD5765 Approved
0.6694 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6693 Remote Similarity NPD3091 Approved
0.6692 Remote Similarity NPD5736 Approved
0.6691 Remote Similarity NPD5406 Approved
0.6691 Remote Similarity NPD5405 Approved
0.6691 Remote Similarity NPD5408 Approved
0.6691 Remote Similarity NPD5404 Approved
0.6667 Remote Similarity NPD6766 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6685 Approved
0.6643 Remote Similarity NPD2346 Discontinued
0.6642 Remote Similarity NPD7055 Discontinued
0.6641 Remote Similarity NPD182 Clinical (unspecified phase)
0.6641 Remote Similarity NPD1245 Approved
0.6639 Remote Similarity NPD164 Approved
0.662 Remote Similarity NPD8166 Discontinued
0.662 Remote Similarity NPD4628 Phase 3
0.6617 Remote Similarity NPD4980 Approved
0.6617 Remote Similarity NPD2798 Approved
0.6615 Remote Similarity NPD5618 Discontinued
0.6614 Remote Similarity NPD6065 Approved
0.661 Remote Similarity NPD2196 Discontinued
0.6607 Remote Similarity NPD9256 Approved
0.6607 Remote Similarity NPD9258 Approved
0.6606 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6599 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6594 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6591 Remote Similarity NPD1283 Approved
0.6591 Remote Similarity NPD1876 Approved
0.6589 Remote Similarity NPD3095 Discontinued
0.6585 Remote Similarity NPD3644 Approved
0.6585 Remote Similarity NPD3643 Approved
0.6585 Remote Similarity NPD3642 Approved
0.6581 Remote Similarity NPD1238 Approved
0.6579 Remote Similarity NPD1202 Approved
0.6574 Remote Similarity NPD3971 Phase 1
0.6571 Remote Similarity NPD225 Approved
0.6571 Remote Similarity NPD227 Approved
0.6562 Remote Similarity NPD7741 Discontinued
0.6556 Remote Similarity NPD7058 Phase 2
0.6556 Remote Similarity NPD7057 Phase 3
0.6552 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6549 Remote Similarity NPD6079 Approved
0.6535 Remote Similarity NPD405 Clinical (unspecified phase)
0.6522 Remote Similarity NPD4094 Approved
0.6522 Remote Similarity NPD4814 Discontinued
0.6514 Remote Similarity NPD3665 Phase 1
0.6514 Remote Similarity NPD3666 Approved
0.6514 Remote Similarity NPD3133 Approved
0.6512 Remote Similarity NPD1651 Approved
0.6508 Remote Similarity NPD4766 Approved
0.6508 Remote Similarity NPD1246 Approved
0.6504 Remote Similarity NPD3646 Clinical (unspecified phase)
0.65 Remote Similarity NPD7305 Phase 1
0.6496 Remote Similarity NPD9495 Approved
0.6489 Remote Similarity NPD3092 Approved
0.6486 Remote Similarity NPD506 Clinical (unspecified phase)
0.6486 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6483 Remote Similarity NPD7390 Discontinued
0.6475 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6466 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6458 Remote Similarity NPD7295 Approved
0.6439 Remote Similarity NPD3880 Clinical (unspecified phase)
0.6439 Remote Similarity NPD6637 Approved
0.6435 Remote Similarity NPD3719 Approved
0.6435 Remote Similarity NPD3718 Approved
0.6434 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6429 Remote Similarity NPD2650 Approved
0.6429 Remote Similarity NPD2652 Approved
0.6423 Remote Similarity NPD3764 Approved
0.6417 Remote Similarity NPD5738 Clinical (unspecified phase)
0.641 Remote Similarity NPD4657 Approved
0.641 Remote Similarity NPD4655 Approved
0.6408 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6396 Remote Similarity NPD3618 Phase 1
0.6396 Remote Similarity NPD9259 Approved
0.6396 Remote Similarity NPD5279 Phase 3
0.6396 Remote Similarity NPD9257 Approved
0.6385 Remote Similarity NPD5981 Approved
0.6383 Remote Similarity NPD2799 Discontinued
0.6376 Remote Similarity NPD3226 Approved
0.6372 Remote Similarity NPD5328 Approved
0.6364 Remote Similarity NPD1281 Approved
0.6355 Remote Similarity NPD9490 Approved
0.6349 Remote Similarity NPD7635 Approved
0.6345 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6343 Remote Similarity NPD1574 Approved
0.6341 Remote Similarity NPD2342 Discontinued
0.6336 Remote Similarity NPD5126 Approved
0.6336 Remote Similarity NPD7725 Approved
0.6336 Remote Similarity NPD5125 Phase 3
0.6336 Remote Similarity NPD5306 Approved
0.6336 Remote Similarity NPD5305 Approved
0.6333 Remote Similarity NPD2171 Approved
0.6333 Remote Similarity NPD6024 Approved

Structure

External Identifiers

PubChem CID   15715176
ChEMBL   CHEMBL598770
ZINC  

Physicochemical Properties

Molecular Weight:  300.21
ALogP:  0.1455
MLogP:  3.44
XLogP:  6.125
# Rotatable Bonds:  7
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  22

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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