Natural Product: NPC235190

Natural Product ID:  NPC235190
Common Name:   Umbelliprenin
IUPAC Name:   7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
Synonyms:   Umbelliprenin
Molecular Formula:   C24H30O3
Standard InCHIKey:  GNMUGVNEWCZUAA-WOWYBKFKSA-N
Standard InCHI:  InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+
Canonical SMILES:  C/C(=CCOc1ccc2c(c1)oc(=O)cc2)/CC/C=C(/CCC=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
NPO22104 Trifolium pratense Species Fabaceae Eukaryota UNPD*
NPO4785 Persicaria thunbergii Species Polygonaceae Eukaryota UNPD*
NPO21270 Nerita albicilla Species Neritidae Eukaryota UNPD*
NPO22298 Inula thapsoides Species Asteraceae Eukaryota UNPD*
NPO8570 Ficus elastica Species Moraceae Eukaryota UNPD*
NPO6873 Salvia xalapensis Species Lamiaceae Eukaryota UNPD*
NPO20190 Oxandra xylopioides Species Annonaceae Eukaryota UNPD*
NPO22689 Cassia carnaval Species Fabaceae Eukaryota UNPD*
NPO20827 Boronia muelleri Species Rutaceae Eukaryota UNPD*
NPO21775 Zilla spinosa Species Brassicaceae Eukaryota UNPD*
NPO29262 Cranfillia vulcanica Species Blechnaceae Eukaryota UNPD*
NPO20134 Dicliptera riparia Species Acanthaceae Eukaryota UNPD*
NPO21023 Astilbe koreana Species Saxifragaceae Eukaryota UNPD*
NPO21212 Scrophularia smithii Species Scrophulariaceae Eukaryota UNPD*
NPO20316 Hypselodoris cantabrica Species Chromodorididae Eukaryota UNPD*
NPO20012 Wunderlichia mirabilis Species Asteraceae Eukaryota UNPD*
NPO20508 Ilex kaushue Species Aquifoliaceae Eukaryota UNPD*
NPO21587 Hypericum papuanum Species Hypericaceae Eukaryota UNPD*
NPO13106 Rhodomyrtus tomentosa Species Myrtaceae Eukaryota UNPD*
NPO21905 Helianthopsis bishopii NA NA NA UNPD*
NPO10757 Cyanospira rippkae Species Aphanizomenonaceae Bacteria UNPD*
NPO22551 Trifolium alexandrium Species Fabaceae Eukaryota UNPD*
NPO19880 Palicourea alpina Species Rubiaceae Eukaryota UNPD*
NPO21400 Macrocystidia cucumis Species Tricholomataceae Eukaryota UNPD*
NPO22746 Salix sieboldiana Species Salicaceae Eukaryota UNPD*
NPO24658 Dillenia papuana Species Dilleniaceae Eukaryota UNPD*
NPO22490 Limeum pterocarpum Species Limeaceae Eukaryota UNPD*
NPO22362 Tylophora flava Species Apocynaceae Eukaryota UNPD*
NPO4771 Tanacetum santolinoides Species Asteraceae Eukaryota UNPD*
NPO15871 Parmelia enteromorpha Species Parmeliaceae Eukaryota UNPD*
NPO17581 Streptomyces fulvoviridis Species Streptomycetaceae Bacteria UNPD*
NPO18141 Solanum torvum Species Solanaceae Eukaryota UNPD*
NPO22622 Coptis deltoidea Species Ranunculaceae Eukaryota UNPD*
NPO20696 Colchicum macedonicum Species Colchicaceae Eukaryota UNPD*
NPO21839 Cymathere triplicata NA NA NA UNPD*
NPO22042 Kaunia arbuscularis Species Asteraceae Eukaryota UNPD*
NPO20889 Anastrepha suspensa Species Tephritidae Eukaryota UNPD*
NPO22227 Sambucus ebulus Species Adoxaceae Eukaryota UNPD*
NPO20045 Burkholderia cepacia Species Burkholderiaceae Bacteria UNPD*
NPO32 Peucedanidecursivi radix NA NA NA TCMSP*
NPO20953 Coprosma acerosa Species Rubiaceae Eukaryota UNPD*
NPO29700 Peucedani radix NA NA NA TCMSP*
NPO21079 Actinomadura hibisca Species Thermomonosporaceae Bacteria UNPD*
NPO22880 Aspergillus caespitosus Species Aspergillaceae Eukaryota UNPD*
NPO21470 Conoideocrella tenuis Species Clavicipitaceae Eukaryota UNPD*
NPO21460 Anethum graveolens Species Apiaceae Eukaryota UNPD*
NPO20077 Posoqueria latifolia Species Rubiaceae Eukaryota UNPD*
NPO20764 Euphorbia caducifolia Species Euphorbiaceae Eukaryota UNPD*
NPO20635 Dalbergia frutescens Species Fabaceae Eukaryota UNPD*
NPO19953 Lupinus formosus Species Fabaceae Eukaryota UNPD*
NPO21334 Artemisia dracunculus Species Asteraceae Eukaryota UNPD*
NPO19799 Erwinia rhapontici Species Erwiniaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5372 Individual Protein Squalene-hopene cyclase Alicyclobacillus acidocaldarius subsp. acidocaldarius (strain ATCC27009 / DSM 446 / 104-1A) (Bacillus acidocaldarius) IC50 = 70000 nM 15050630
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 44668.4 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 72000 nM 21696954
NPT2 Others Unspecified IC50 = 30000 nM 21696954
NPT81 Cell Line A549 Homo sapiens IC50 = 71000 nM 21696954
NPT306 Cell Line PC-3 Homo sapiens IC50 = 75000 nM 21696954
NPT170 Cell Line SK-MEL-28 Homo sapiens IC50 = 66000 nM 21696954
NPT114 Cell Line LoVo Homo sapiens IC50 = 50000 nM 21696954
NPT2 Others Unspecified GI = 90 % 21696954
NPT2 Others Unspecified Activity = 40 % 21696954
NPT2 Others Unspecified Potency 112201.8 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 63095.7 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 3100 nM 23047230
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens IC50 = 16700 nM 23047230
NPT2 Others Unspecified Potency 50118.7 nM PubChem BioAssay data set
NPT156 Individual Protein Sphingomyelin phosphodiesterase Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 461.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18356.4 nM PubChem BioAssay data set
NPT2 Others Unspecified LC50 = 18000 nM 25205194
NPT2 Others Unspecified LC50 > 100000 nM 25205194
NPT2 Others Unspecified Potency 31622.8 nM PubChem BioAssay data set
NPT841 Organism Leishmania major Leishmania major IC50 = 13300 nM 26778149

  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 NPC235190 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 NPC180006
0.9825 High Similarity NPC163200
0.9823 High Similarity NPC281356
0.9735 High Similarity NPC265547
0.9649 High Similarity NPC298796
0.9573 High Similarity NPC109675
0.9573 High Similarity NPC273772
0.9561 High Similarity NPC96705
0.9561 High Similarity NPC152306
0.9558 High Similarity NPC128633
0.9492 High Similarity NPC201667
0.9492 High Similarity NPC73413
0.9492 High Similarity NPC27671
0.9487 High Similarity NPC248429
0.9487 High Similarity NPC96286
0.9417 High Similarity NPC121740
0.9417 High Similarity NPC258567
0.9417 High Similarity NPC224774
0.9407 High Similarity NPC472518
0.9339 High Similarity NPC469453
0.9339 High Similarity NPC472519
0.925 High Similarity NPC471827
0.925 High Similarity NPC471828
0.9244 High Similarity NPC315807
0.9237 High Similarity NPC144418
0.9187 High Similarity NPC19242
0.9187 High Similarity NPC113098
0.9174 High Similarity NPC188327
0.9174 High Similarity NPC234109
0.9174 High Similarity NPC101894
0.9167 High Similarity NPC291899
0.916 High Similarity NPC13007
0.916 High Similarity NPC257188
0.9113 High Similarity NPC272650
0.9113 High Similarity NPC29734
0.9113 High Similarity NPC267336
0.9106 High Similarity NPC168710
0.9098 High Similarity NPC243688
0.9083 High Similarity NPC290605
0.9083 High Similarity NPC50720
0.9083 High Similarity NPC154176
0.9083 High Similarity NPC173350
0.9076 High Similarity NPC52247
0.9068 High Similarity NPC247553
0.904 High Similarity NPC14248
0.9032 High Similarity NPC80170
0.9024 High Similarity NPC157212
0.9024 High Similarity NPC185066
0.9024 High Similarity NPC199204
0.9016 High Similarity NPC471826
0.9008 High Similarity NPC111347
0.9 High Similarity NPC150214
0.8992 High Similarity NPC319378
0.8992 High Similarity NPC302107
0.8968 High Similarity NPC2363
0.8968 High Similarity NPC296624
0.8968 High Similarity NPC318400
0.8968 High Similarity NPC7526
0.8968 High Similarity NPC167111
0.8968 High Similarity NPC471910
0.8968 High Similarity NPC31849
0.8968 High Similarity NPC133956
0.8968 High Similarity NPC469449
0.8968 High Similarity NPC207002
0.8968 High Similarity NPC36437
0.8968 High Similarity NPC241341
0.8968 High Similarity NPC222036
0.8968 High Similarity NPC233018
0.8952 High Similarity NPC474289
0.8938 High Similarity NPC149545
0.8934 High Similarity NPC93219
0.8934 High Similarity NPC244495
0.8917 High Similarity NPC187868
0.8898 High Similarity NPC198381
0.8898 High Similarity NPC267412
0.8898 High Similarity NPC84894
0.8898 High Similarity NPC195343
0.8898 High Similarity NPC55149
0.8898 High Similarity NPC319859
0.8898 High Similarity NPC47163
0.8898 High Similarity NPC74655
0.8898 High Similarity NPC100986
0.8898 High Similarity NPC18804
0.8898 High Similarity NPC307412
0.8898 High Similarity NPC166672
0.8898 High Similarity NPC260265
0.8898 High Similarity NPC287182
0.8898 High Similarity NPC164269
0.8898 High Similarity NPC127888
0.8889 High Similarity NPC137669
0.886 High Similarity NPC106141
0.8828 High Similarity NPC471909
0.8828 High Similarity NPC86892
0.8828 High Similarity NPC471625
0.8828 High Similarity NPC469675
0.8828 High Similarity NPC472424
0.8828 High Similarity NPC281241
0.878 High Similarity NPC232692
0.878 High Similarity NPC202594
0.877 High Similarity NPC143725
0.8761 High Similarity NPC157473
0.8761 High Similarity NPC151530
0.876 High Similarity NPC283331
0.876 High Similarity NPC149320
0.876 High Similarity NPC128529
0.876 High Similarity NPC160727
0.876 High Similarity NPC471630
0.876 High Similarity NPC55615
0.876 High Similarity NPC26954
0.876 High Similarity NPC177281
0.876 High Similarity NPC38099
0.876 High Similarity NPC283019
0.876 High Similarity NPC476455
0.875 High Similarity NPC326600
0.875 High Similarity NPC213173
0.875 High Similarity NPC180716
0.875 High Similarity NPC50896
0.875 High Similarity NPC224475
0.875 High Similarity NPC204353
0.875 High Similarity NPC62366
0.874 High Similarity NPC194277
0.874 High Similarity NPC175159
0.874 High Similarity NPC19157
0.874 High Similarity NPC469956
0.874 High Similarity NPC319969
0.873 High Similarity NPC244799
0.873 High Similarity NPC240722
0.873 High Similarity NPC32463
0.872 High Similarity NPC139595
0.872 High Similarity NPC60704
0.872 High Similarity NPC293642
0.871 High Similarity NPC127604
0.8692 High Similarity NPC471069
0.8692 High Similarity NPC155963
0.8692 High Similarity NPC131198
0.8692 High Similarity NPC306365
0.8692 High Similarity NPC471068
0.8692 High Similarity NPC14697
0.8684 High Similarity NPC291837
0.8682 High Similarity NPC472525
0.8682 High Similarity NPC229128
0.8673 High Similarity NPC176971
0.8672 High Similarity NPC163557
0.8672 High Similarity NPC54503
0.8672 High Similarity NPC55147
0.8672 High Similarity NPC469955
0.8672 High Similarity NPC469952
0.8661 High Similarity NPC472517
0.8651 High Similarity NPC123127
0.8651 High Similarity NPC27239
0.864 High Similarity NPC194841
0.864 High Similarity NPC289316
0.8629 High Similarity NPC168259
0.8626 High Similarity NPC164148
0.8626 High Similarity NPC307883
0.8626 High Similarity NPC471070
0.8626 High Similarity NPC279573
0.8626 High Similarity NPC211110
0.8626 High Similarity NPC151946
0.8626 High Similarity NPC471071
0.8626 High Similarity NPC43500
0.8626 High Similarity NPC471072
0.8605 High Similarity NPC309953
0.8605 High Similarity NPC98179
0.8605 High Similarity NPC253574
0.8595 High Similarity NPC193193
0.8595 High Similarity NPC31314
0.8595 High Similarity NPC473290
0.8595 High Similarity NPC471504
0.8584 High Similarity NPC128730
0.8584 High Similarity NPC139891
0.8571 High Similarity NPC33717
0.8571 High Similarity NPC474651
0.8571 High Similarity NPC474623
0.8561 High Similarity NPC312881
0.856 High Similarity NPC163248
0.855 High Similarity NPC232246
0.855 High Similarity NPC153818
0.8538 High Similarity NPC66705
0.8538 High Similarity NPC33986
0.8538 High Similarity NPC61499
0.8537 High Similarity NPC288238
0.8534 High Similarity NPC231251
0.8534 High Similarity NPC25067
0.8534 High Similarity NPC88868
0.8527 High Similarity NPC472524
0.8516 High Similarity NPC250727
0.8512 High Similarity NPC59561
0.8512 High Similarity NPC172253
0.8509 High Similarity NPC326447
0.85 High Similarity NPC471498
0.85 High Similarity NPC471503
0.8496 Intermediate Similarity NPC300611
0.8496 Intermediate Similarity NPC152771
0.8496 Intermediate Similarity NPC155552
0.8496 Intermediate Similarity NPC287286
0.8496 Intermediate Similarity NPC472523
0.8496 Intermediate Similarity NPC195357
0.8496 Intermediate Similarity NPC138149
0.8485 Intermediate Similarity NPC253616

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC235190 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
0.9076 High Similarity NPD422 Phase 1
0.8584 High Similarity NPD9697 Approved
0.8571 High Similarity NPD1008 Clinical (unspecified phase)
0.8509 High Similarity NPD3134 Approved
0.8438 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8385 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.8385 Intermediate Similarity NPD5124 Phase 1
0.8295 Intermediate Similarity NPD1296 Phase 2
0.8279 Intermediate Similarity NPD1548 Phase 1
0.8276 Intermediate Similarity NPD1358 Approved
0.8222 Intermediate Similarity NPD1652 Phase 2
0.8134 Intermediate Similarity NPD2796 Approved
0.8083 Intermediate Similarity NPD5535 Approved
0.806 Intermediate Similarity NPD3748 Approved
0.8 Intermediate Similarity NPD6832 Phase 2
0.7986 Intermediate Similarity NPD6799 Approved
0.7969 Intermediate Similarity NPD3225 Approved
0.792 Intermediate Similarity NPD5691 Approved
0.7907 Intermediate Similarity NPD2797 Approved
0.7874 Intermediate Similarity NPD1610 Phase 2
0.7869 Intermediate Similarity NPD1241 Discontinued
0.7863 Intermediate Similarity NPD4908 Phase 1
0.7826 Intermediate Similarity NPD1243 Approved
0.7795 Intermediate Similarity NPD3496 Discontinued
0.7786 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD3750 Approved
0.7769 Intermediate Similarity NPD3266 Approved
0.7769 Intermediate Similarity NPD3267 Approved
0.7762 Intermediate Similarity NPD1653 Approved
0.7744 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7737 Intermediate Similarity NPD1551 Phase 2
0.7717 Intermediate Similarity NPD1778 Approved
0.771 Intermediate Similarity NPD1019 Discontinued
0.7692 Intermediate Similarity NPD920 Approved
0.7676 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD9717 Approved
0.7655 Intermediate Similarity NPD6599 Discontinued
0.7612 Intermediate Similarity NPD3268 Approved
0.7603 Intermediate Similarity NPD7411 Suspended
0.7603 Intermediate Similarity NPD2684 Approved
0.7586 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD4626 Approved
0.7574 Intermediate Similarity NPD4340 Discontinued
0.7574 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD5403 Approved
0.7552 Intermediate Similarity NPD5401 Approved
0.7551 Intermediate Similarity NPD6801 Discontinued
0.7521 Intermediate Similarity NPD290 Approved
0.7518 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1240 Approved
0.75 Intermediate Similarity NPD7819 Suspended
0.75 Intermediate Similarity NPD1549 Phase 2
0.75 Intermediate Similarity NPD1203 Approved
0.75 Intermediate Similarity NPD5585 Approved
0.75 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4307 Phase 2
0.75 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD4749 Approved
0.7462 Intermediate Similarity NPD1091 Approved
0.745 Intermediate Similarity NPD3817 Phase 2
0.7431 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7422 Intermediate Similarity NPD9545 Approved
0.7422 Intermediate Similarity NPD1894 Discontinued
0.741 Intermediate Similarity NPD7033 Discontinued
0.741 Intermediate Similarity NPD1510 Phase 2
0.74 Intermediate Similarity NPD7768 Phase 2
0.7391 Intermediate Similarity NPD1607 Approved
0.7388 Intermediate Similarity NPD3018 Phase 2
0.7379 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD7843 Approved
0.7353 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD6798 Discontinued
0.7351 Intermediate Similarity NPD7075 Discontinued
0.7319 Intermediate Similarity NPD1933 Approved
0.731 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD17 Approved
0.7303 Intermediate Similarity NPD919 Approved
0.7286 Intermediate Similarity NPD4308 Phase 3
0.7279 Intermediate Similarity NPD4625 Phase 3
0.7273 Intermediate Similarity NPD4628 Phase 3
0.7273 Intermediate Similarity NPD2981 Phase 2
0.726 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD846 Approved
0.725 Intermediate Similarity NPD940 Approved
0.7248 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD1613 Approved
0.7246 Intermediate Similarity NPD4060 Phase 1
0.7241 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD821 Approved
0.7219 Intermediate Similarity NPD5402 Approved
0.7218 Intermediate Similarity NPD2983 Phase 2
0.7218 Intermediate Similarity NPD4359 Approved
0.7218 Intermediate Similarity NPD2982 Phase 2
0.7214 Intermediate Similarity NPD2200 Suspended
0.7209 Intermediate Similarity NPD5536 Phase 2
0.7206 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD1611 Approved
0.7194 Intermediate Similarity NPD6355 Discontinued
0.7188 Intermediate Similarity NPD7157 Approved
0.7188 Intermediate Similarity NPD2557 Approved
0.7185 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD6233 Phase 2
0.7172 Intermediate Similarity NPD6666 Approved
0.7172 Intermediate Similarity NPD6667 Approved
0.7171 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD8651 Approved
0.7163 Intermediate Similarity NPD2799 Discontinued
0.7154 Intermediate Similarity NPD968 Approved
0.7153 Intermediate Similarity NPD7466 Approved
0.7153 Intermediate Similarity NPD3027 Phase 3
0.7153 Intermediate Similarity NPD5163 Phase 2
0.7143 Intermediate Similarity NPD1608 Approved
0.7132 Intermediate Similarity NPD2237 Approved
0.7132 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD2861 Phase 2
0.7132 Intermediate Similarity NPD9493 Approved
0.7132 Intermediate Similarity NPD3596 Phase 2
0.7124 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD7212 Phase 2
0.7123 Intermediate Similarity NPD7213 Phase 3
0.7122 Intermediate Similarity NPD4140 Approved
0.7121 Intermediate Similarity NPD3847 Discontinued
0.712 Intermediate Similarity NPD5451 Approved
0.7113 Intermediate Similarity NPD2935 Discontinued
0.7105 Intermediate Similarity NPD4288 Approved
0.7101 Intermediate Similarity NPD411 Approved
0.7101 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD1048 Approved
0.7095 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD7447 Phase 1
0.7071 Intermediate Similarity NPD447 Suspended
0.7071 Intermediate Similarity NPD230 Phase 1
0.707 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD4380 Phase 2
0.7059 Intermediate Similarity NPD3882 Suspended
0.7054 Intermediate Similarity NPD6671 Approved
0.705 Intermediate Similarity NPD4062 Phase 3
0.7044 Intermediate Similarity NPD5844 Phase 1
0.7039 Intermediate Similarity NPD2801 Approved
0.7039 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD5746 Approved
0.7027 Intermediate Similarity NPD2186 Approved
0.7023 Intermediate Similarity NPD6580 Approved
0.7023 Intermediate Similarity NPD6581 Approved
0.7018 Intermediate Similarity NPD1282 Approved
0.7015 Intermediate Similarity NPD3972 Approved
0.7014 Intermediate Similarity NPD2424 Discontinued
0.7013 Intermediate Similarity NPD3749 Approved
0.7013 Intermediate Similarity NPD6971 Discontinued
0.7007 Intermediate Similarity NPD1511 Approved
0.7 Intermediate Similarity NPD3140 Approved
0.7 Intermediate Similarity NPD3142 Approved
0.6993 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6993 Remote Similarity NPD6100 Approved
0.6993 Remote Similarity NPD4476 Approved
0.6993 Remote Similarity NPD4477 Approved
0.6993 Remote Similarity NPD6099 Approved
0.6978 Remote Similarity NPD2313 Discontinued
0.6975 Remote Similarity NPD7549 Discontinued
0.6974 Remote Similarity NPD1934 Approved
0.6972 Remote Similarity NPD7097 Phase 1
0.697 Remote Similarity NPD3443 Approved
0.697 Remote Similarity NPD3049 Approved
0.697 Remote Similarity NPD6830 Clinical (unspecified phase)
0.697 Remote Similarity NPD3445 Approved
0.697 Remote Similarity NPD3444 Approved
0.6966 Remote Similarity NPD2654 Approved
0.6962 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6959 Remote Similarity NPD2534 Approved
0.6959 Remote Similarity NPD2533 Approved
0.6959 Remote Similarity NPD2532 Approved
0.6957 Remote Similarity NPD2614 Approved
0.695 Remote Similarity NPD4618 Approved
0.695 Remote Similarity NPD4622 Approved
0.6944 Remote Similarity NPD6004 Phase 3
0.6944 Remote Similarity NPD6005 Phase 3
0.6944 Remote Similarity NPD5762 Approved
0.6944 Remote Similarity NPD5763 Approved
0.6944 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6944 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6944 Remote Similarity NPD6002 Phase 3
0.694 Remote Similarity NPD3705 Approved
0.694 Remote Similarity NPD1535 Discovery
0.6939 Remote Similarity NPD6652 Clinical (unspecified phase)
0.6934 Remote Similarity NPD3690 Phase 2
0.6934 Remote Similarity NPD2798 Approved
0.6934 Remote Similarity NPD3691 Phase 2
0.6929 Remote Similarity NPD5745 Approved
0.6929 Remote Similarity NPD8032 Phase 2
0.6923 Remote Similarity NPD5494 Approved
0.6917 Remote Similarity NPD2556 Approved
0.6917 Remote Similarity NPD6516 Phase 2
0.6917 Remote Similarity NPD2554 Approved
0.6917 Remote Similarity NPD5846 Approved

Structure

External Identifiers

PubChem CID   1781413
ChEMBL   CHEMBL156127
ZINC  

Physicochemical Properties

Molecular Weight:  366.22
ALogP:  4.1481
MLogP:  3.77
XLogP:  6.896
# Rotatable Bonds:  13
Polar Surface Area:  35.53
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  27

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