Natural Product: NPC72452

Natural Product ID:  NPC72452
Common Name:   Tetramethylkaempferol
IUPAC Name:   3,5,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
Synonyms:   Tetramethylkaempferol
Molecular Formula:   C19H18O6
Standard InCHIKey:  YZWIIEJLESXODL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)18-19(24-4)17(20)16-14(23-3)9-13(22-2)10-15(16)25-18/h5-10H,1-4H3
Canonical SMILES:  COc1ccc(cc1)c1oc2cc(OC)cc(c2c(=O)c1OC)OC
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
NPO22500 Stephania dielsiana Species Menispermaceae Eukaryota UNPD*
NPO28159 Rubia akane Species Rubiaceae Eukaryota UNPD*
NPO27695 Centaurea sonchifolia Species Asteraceae Eukaryota UNPD*
NPO24184 Argyrochosma pilifera Species Pteridaceae Eukaryota UNPD*
NPO25048 Streblognathus aethiopicus Species Formicidae Eukaryota UNPD*
NPO1184 Colchicum filifolium Species Colchicaceae Eukaryota UNPD*
NPO25626 Euphorbia latazi Species Euphorbiaceae Eukaryota UNPD*
NPO5970.1 Petunia axillaris subsp. parodii Subspecies Solanaceae Eukaryota UNPD*
NPO4164 Salvia virgata Species Lamiaceae Eukaryota UNPD*
NPO19745 Esox lucius Species Esocidae Eukaryota UNPD*
NPO27614 Salix rosmarinifolia Species Salicaceae Eukaryota UNPD*
NPO20584 Cheilanthes fragrans Species Pteridaceae Eukaryota UNPD*
NPO27882 Boswellia ovalifoliolata Species Burseraceae Eukaryota UNPD*
NPO25499 Campanula choziatowskyi Species Campanulaceae Eukaryota UNPD*
NPO9354 Lepechinia urbanii Species Lamiaceae Eukaryota UNPD*
NPO27613 Helleborus macranthus Species Ranunculaceae Eukaryota UNPD*
NPO27854 Sphaeria rousseliana NA NA NA UNPD*
NPO27600 Boesenbergia pandurata Species Zingiberaceae Eukaryota UNPD*
NPO27455 Dysidea fragilis Species Dysideidae Eukaryota UNPD*
NPO26342 Dialium excelsum Species Fabaceae Eukaryota UNPD*
NPO21600 Aconitum variegatum Species Ranunculaceae Eukaryota UNPD*
NPO24014 Scapania bolanderi Species Scapaniaceae Eukaryota UNPD*
NPO28083 Salvia lavanduloides Species Lamiaceae Eukaryota UNPD*
NPO2030 Mimosa pigra Species Fabaceae Eukaryota UNPD*
NPO28063 Beilschmiedia madang Species Lauraceae Eukaryota UNPD*
NPO27637 Heliotropium scabrum Species Heliotropiaceae Eukaryota UNPD*
NPO23156 Maclura cochinchinensis Species Moraceae Eukaryota UNPD*
NPO27338 Senecio platyphylloides Species Asteraceae Eukaryota UNPD*
NPO28385 Iris kashmiriana Species Tarachodidae Eukaryota UNPD*
NPO26321 Salvia patens Species Lamiaceae Eukaryota UNPD*
NPO3711 Acalypha australis Species Euphorbiaceae Eukaryota UNPD*
NPO24139 Calamus strictus Species Sparidae Eukaryota UNPD*
NPO27816 Pterocaulon serrulatum Species Asteraceae Eukaryota UNPD*
NPO28426 Etmopterus spinax Species Etmopteridae Eukaryota UNPD*
NPO28289 Nepytia freemani Species Geometridae Eukaryota UNPD*
NPO28044 Erythrina hypaphorus Species Fabaceae Eukaryota UNPD*
NPO16156 Mucuna holtonii Species Fabaceae Eukaryota UNPD*
NPO27642 Podocarpus dacrydioides Species Podocarpaceae Eukaryota UNPD*
NPO27397 Drymaria cordata Species Caryophyllaceae Eukaryota UNPD*
NPO22683 Pteris bella Species Pteridaceae Eukaryota UNPD*
NPO27986 Lonchocarpus chiricanus Species Fabaceae Eukaryota UNPD*
NPO28313 Mentzelia decapetala Species Loasaceae Eukaryota UNPD*
NPO1373 Pulsatilla chinensis Species Ranunculaceae Eukaryota UNPD*
NPO25237 Angelica saxatilis Species Apiaceae Eukaryota UNPD*
NPO11849 Cynoglossum macrostylum Species Boraginaceae Eukaryota UNPD*
NPO19383 Lactarius mitissimus Species Russulaceae Eukaryota UNPD*
NPO26476 Preussia terricola Species Sporormiaceae Eukaryota UNPD*
NPO27702 Matricaria sabulosa Species Asteraceae Eukaryota UNPD*
NPO25835 Parmotrema nilgherrense Species Parmeliaceae Eukaryota UNPD*
NPO23426 Andromeda polifolia Species Ericaceae Eukaryota UNPD*
NPO26553 Lemonia spectabilis Species Lemoniidae Eukaryota UNPD*
NPO27506 Orgyia pseudotsugata Species Lymantriidae Eukaryota UNPD*
NPO27145 Euphorbia hylonoma Species Euphorbiaceae Eukaryota UNPD*
NPO27057 Matsucoccus josephi Species Margarodidae Eukaryota UNPD*
NPO24496 Gymnopetalum integrifolium Species Cucurbitaceae Eukaryota UNPD*
NPO27234 Thalassiosira weissflogii Species Thalassiosiraceae Eukaryota UNPD*
NPO28003 Astragalus circassicus Species Fabaceae Eukaryota UNPD*
NPO28412 Amorphophallus konjac Species Araceae Eukaryota UNPD*
NPO17337 Centaurea scoparia Species Asteraceae Eukaryota UNPD*
NPO27916 Hardenbergia violacea Species Fabaceae Eukaryota UNPD*
NPO28206 Aniba santalodora Species Lauraceae Eukaryota UNPD*
NPO21344 Fadogia agrestis Species Rubiaceae Eukaryota UNPD*
NPO13008 Methanobrevibacter arboriphilus Species Methanobacteriaceae Archaea UNPD*
NPO23300 Trichilia heudelotii Species Meliaceae Eukaryota UNPD*
NPO8961 Bethencourtia palmensis Species Asteraceae Eukaryota UNPD*
NPO25120 Vincetoxicum forrestii Species Apocynaceae Eukaryota UNPD*
NPO24576 Genista lydia Species Fabaceae Eukaryota UNPD*
NPO16298 Quercus marilandica Species Fagaceae Eukaryota UNPD*
NPO21534 Ostrya carpinifolia Species Betulaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ki = 1070 nM 8576921
NPT218 Individual Protein Adenosine A3 receptor Homo sapiens Ki = 3370 nM 8576921
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 28.2 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 24.1 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 19.1 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 0.77 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 1.23 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 0.89 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 3.14 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 1.89 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 1.34 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 1.82 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 2.08 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 1.88 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 2.24 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 2.02 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 1.53 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 2.61 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 2.54 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 2.38 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 2.11 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 1.81 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 1.67 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 2.9 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Ratio = 2.05 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 46 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 62.7 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 82.7 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 135.8 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 163.1 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 176.6 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 146.5 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 136.7 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 164.7 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 149.5 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 144.6 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 33.7 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 10.1 % 21493073

  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 NPC72452 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 NPC61546
0.9699 High Similarity NPC276905
0.9692 High Similarity NPC473655
0.9692 High Similarity NPC101294
0.963 High Similarity NPC262094
0.963 High Similarity NPC90582
0.9615 High Similarity NPC278556
0.9556 High Similarity NPC103904
0.9556 High Similarity NPC146679
0.9556 High Similarity NPC184536
0.9556 High Similarity NPC474037
0.9556 High Similarity NPC59951
0.9556 High Similarity NPC230285
0.9556 High Similarity NPC103342
0.9485 High Similarity NPC136840
0.9481 High Similarity NPC241838
0.9481 High Similarity NPC143799
0.9481 High Similarity NPC152042
0.9466 High Similarity NPC284424
0.9412 High Similarity NPC281207
0.9412 High Similarity NPC269652
0.9403 High Similarity NPC254741
0.9403 High Similarity NPC161196
0.9398 High Similarity NPC125269
0.9353 High Similarity NPC178343
0.9353 High Similarity NPC306488
0.9353 High Similarity NPC310259
0.9353 High Similarity NPC5820
0.9348 High Similarity NPC158874
0.9348 High Similarity NPC470216
0.9328 High Similarity NPC99854
0.9323 High Similarity NPC292998
0.9308 High Similarity NPC473907
0.9286 High Similarity NPC299923
0.9281 High Similarity NPC273538
0.9281 High Similarity NPC216538
0.9275 High Similarity NPC200694
0.9265 High Similarity NPC17848
0.9259 High Similarity NPC216361
0.9259 High Similarity NPC256042
0.9259 High Similarity NPC194281
0.9259 High Similarity NPC281917
0.9259 High Similarity NPC116775
0.9259 High Similarity NPC47815
0.9259 High Similarity NPC29353
0.9259 High Similarity NPC473887
0.9259 High Similarity NPC231772
0.9259 High Similarity NPC127447
0.9259 High Similarity NPC13408
0.9259 High Similarity NPC124784
0.9259 High Similarity NPC234133
0.9259 High Similarity NPC187432
0.9237 High Similarity NPC211120
0.9237 High Similarity NPC473894
0.9231 High Similarity NPC475496
0.9231 High Similarity NPC41721
0.9231 High Similarity NPC49852
0.9214 High Similarity NPC153758
0.9214 High Similarity NPC124729
0.9214 High Similarity NPC470458
0.9209 High Similarity NPC24821
0.9209 High Similarity NPC293053
0.9209 High Similarity NPC9117
0.9209 High Similarity NPC190637
0.9209 High Similarity NPC212932
0.9191 High Similarity NPC250266
0.9191 High Similarity NPC266597
0.9191 High Similarity NPC299379
0.9191 High Similarity NPC259685
0.9185 High Similarity NPC46869
0.9179 High Similarity NPC223354
0.9155 High Similarity NPC470461
0.9155 High Similarity NPC69752
0.9149 High Similarity NPC259632
0.9143 High Similarity NPC326500
0.9137 High Similarity NPC473042
0.9137 High Similarity NPC9966
0.9137 High Similarity NPC70853
0.913 High Similarity NPC159275
0.913 High Similarity NPC241100
0.913 High Similarity NPC150522
0.9111 High Similarity NPC248872
0.9104 High Similarity NPC182428
0.9091 High Similarity NPC201547
0.9091 High Similarity NPC259058
0.9085 High Similarity NPC244407
0.9085 High Similarity NPC470460
0.9085 High Similarity NPC296869
0.9085 High Similarity NPC261548
0.9071 High Similarity NPC113089
0.9065 High Similarity NPC282300
0.9065 High Similarity NPC110969
0.9065 High Similarity NPC103362
0.9065 High Similarity NPC29536
0.9058 High Similarity NPC220062
0.9058 High Similarity NPC18260
0.9058 High Similarity NPC53181
0.9058 High Similarity NPC11566
0.9058 High Similarity NPC301217
0.9058 High Similarity NPC303633
0.9058 High Similarity NPC217186
0.9058 High Similarity NPC55018
0.9058 High Similarity NPC136095
0.9058 High Similarity NPC96565
0.9058 High Similarity NPC78913
0.9058 High Similarity NPC216978
0.9051 High Similarity NPC103001
0.9051 High Similarity NPC188879
0.9051 High Similarity NPC157855
0.9037 High Similarity NPC78540
0.9037 High Similarity NPC50898
0.9037 High Similarity NPC213216
0.9037 High Similarity NPC274121
0.9028 High Similarity NPC474170
0.9028 High Similarity NPC236769
0.9028 High Similarity NPC474388
0.9028 High Similarity NPC472535
0.9021 High Similarity NPC181250
0.9015 High Similarity NPC475017
0.9014 High Similarity NPC14001
0.9014 High Similarity NPC472918
0.9014 High Similarity NPC117463
0.9014 High Similarity NPC166757
0.9014 High Similarity NPC471285
0.9007 High Similarity NPC136278
0.9007 High Similarity NPC71210
0.9 High Similarity NPC226636
0.9 High Similarity NPC11561
0.8993 High Similarity NPC172986
0.8993 High Similarity NPC110228
0.8993 High Similarity NPC261227
0.8993 High Similarity NPC472409
0.8993 High Similarity NPC284550
0.8993 High Similarity NPC171094
0.8993 High Similarity NPC129853
0.8993 High Similarity NPC76445
0.8993 High Similarity NPC6407
0.8993 High Similarity NPC270883
0.8993 High Similarity NPC188243
0.8986 High Similarity NPC99333
0.8986 High Similarity NPC188947
0.8986 High Similarity NPC201395
0.8986 High Similarity NPC124269
0.8986 High Similarity NPC280284
0.8978 High Similarity NPC121243
0.8978 High Similarity NPC240147
0.8978 High Similarity NPC240593
0.8971 High Similarity NPC172262
0.8971 High Similarity NPC66705
0.8963 High Similarity NPC10971
0.8963 High Similarity NPC128216
0.8963 High Similarity NPC229646
0.8958 High Similarity NPC50728
0.8958 High Similarity NPC188871
0.8958 High Similarity NPC166753
0.8958 High Similarity NPC61258
0.8958 High Similarity NPC286342
0.8958 High Similarity NPC149127
0.8958 High Similarity NPC177839
0.8944 High Similarity NPC215932
0.8944 High Similarity NPC220418
0.8944 High Similarity NPC40818
0.8944 High Similarity NPC110639
0.8944 High Similarity NPC106461
0.8944 High Similarity NPC14958
0.8936 High Similarity NPC59522
0.8931 High Similarity NPC2771
0.8931 High Similarity NPC65041
0.8929 High Similarity NPC147688
0.8929 High Similarity NPC205006
0.8929 High Similarity NPC64908
0.8929 High Similarity NPC22467
0.8929 High Similarity NPC52576
0.8929 High Similarity NPC156590
0.8929 High Similarity NPC118840
0.8921 High Similarity NPC140890
0.8921 High Similarity NPC222342
0.8921 High Similarity NPC329203
0.8921 High Similarity NPC265871
0.8921 High Similarity NPC150648
0.8921 High Similarity NPC473209
0.8921 High Similarity NPC274784
0.8921 High Similarity NPC310135
0.8921 High Similarity NPC225153
0.8921 High Similarity NPC20709
0.8913 High Similarity NPC228661
0.8913 High Similarity NPC254841
0.8913 High Similarity NPC290291
0.8913 High Similarity NPC253616
0.8913 High Similarity NPC275055
0.8904 High Similarity NPC311579
0.8904 High Similarity NPC78326
0.8904 High Similarity NPC270620
0.8904 High Similarity NPC236756
0.8904 High Similarity NPC236223
0.8904 High Similarity NPC179126
0.8897 High Similarity NPC188646
0.8897 High Similarity NPC20560
0.8897 High Similarity NPC76376
0.8897 High Similarity NPC175098

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC72452 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
0.9281 High Similarity NPD4378 Clinical (unspecified phase)
0.9259 High Similarity NPD2796 Approved
0.9071 High Similarity NPD6799 Approved
0.8844 High Similarity NPD3817 Phase 2
0.8777 High Similarity NPD1550 Clinical (unspecified phase)
0.8777 High Similarity NPD1552 Clinical (unspecified phase)
0.8714 High Similarity NPD1549 Phase 2
0.8707 High Similarity NPD6801 Discontinued
0.8699 High Similarity NPD6599 Discontinued
0.8681 High Similarity NPD1512 Approved
0.8649 High Similarity NPD7096 Clinical (unspecified phase)
0.8633 High Similarity NPD1510 Phase 2
0.8613 High Similarity NPD1240 Approved
0.8611 High Similarity NPD7410 Clinical (unspecified phase)
0.8542 High Similarity NPD1511 Approved
0.8523 High Similarity NPD2801 Approved
0.8493 Intermediate Similarity NPD5403 Approved
0.8489 Intermediate Similarity NPD1607 Approved
0.8483 Intermediate Similarity NPD5401 Approved
0.8477 Intermediate Similarity NPD7075 Discontinued
0.8411 Intermediate Similarity NPD3882 Suspended
0.84 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8389 Intermediate Similarity NPD7411 Suspended
0.8369 Intermediate Similarity NPD3748 Approved
0.8333 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD1934 Approved
0.8322 Intermediate Similarity NPD4380 Phase 2
0.8278 Intermediate Similarity NPD7819 Suspended
0.8264 Intermediate Similarity NPD1243 Approved
0.8243 Intermediate Similarity NPD920 Approved
0.8235 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8228 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8224 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8224 Intermediate Similarity NPD5402 Approved
0.8188 Intermediate Similarity NPD6832 Phase 2
0.8153 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8153 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8153 Intermediate Similarity NPD6166 Phase 2
0.8129 Intermediate Similarity NPD5494 Approved
0.8125 Intermediate Similarity NPD6797 Phase 2
0.8108 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.8082 Intermediate Similarity NPD3750 Approved
0.8077 Intermediate Similarity NPD1247 Approved
0.8075 Intermediate Similarity NPD7251 Discontinued
0.8074 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.8069 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8065 Intermediate Similarity NPD919 Approved
0.8025 Intermediate Similarity NPD7808 Phase 3
0.8014 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8014 Intermediate Similarity NPD2654 Approved
0.7975 Intermediate Similarity NPD3926 Phase 2
0.7931 Intermediate Similarity NPD1551 Phase 2
0.7914 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7891 Intermediate Similarity NPD2800 Approved
0.7888 Intermediate Similarity NPD7054 Approved
0.7848 Intermediate Similarity NPD6959 Discontinued
0.7842 Intermediate Similarity NPD3267 Approved
0.7842 Intermediate Similarity NPD3266 Approved
0.784 Intermediate Similarity NPD7472 Approved
0.7826 Intermediate Similarity NPD3818 Discontinued
0.7821 Intermediate Similarity NPD7768 Phase 2
0.7817 Intermediate Similarity NPD2313 Discontinued
0.7812 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7812 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7786 Intermediate Similarity NPD2798 Approved
0.7778 Intermediate Similarity NPD1933 Approved
0.7778 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD3749 Approved
0.7754 Intermediate Similarity NPD3972 Approved
0.774 Intermediate Similarity NPD2799 Discontinued
0.773 Intermediate Similarity NPD7074 Phase 3
0.7724 Intermediate Similarity NPD6651 Approved
0.7718 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD1203 Approved
0.7702 Intermediate Similarity NPD2403 Approved
0.7692 Intermediate Similarity NPD3268 Approved
0.7692 Intermediate Similarity NPD1296 Phase 2
0.7687 Intermediate Similarity NPD2935 Discontinued
0.7669 Intermediate Similarity NPD1241 Discontinued
0.766 Intermediate Similarity NPD1019 Discontinued
0.7647 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD1548 Phase 1
0.7635 Intermediate Similarity NPD1471 Phase 3
0.7635 Intermediate Similarity NPD2344 Approved
0.7626 Intermediate Similarity NPD9717 Approved
0.7619 Intermediate Similarity NPD7033 Discontinued
0.7595 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD2797 Approved
0.7586 Intermediate Similarity NPD4307 Phase 2
0.7578 Intermediate Similarity NPD6232 Discontinued
0.7569 Intermediate Similarity NPD6798 Discontinued
0.7561 Intermediate Similarity NPD7286 Phase 2
0.7554 Intermediate Similarity NPD422 Phase 1
0.755 Intermediate Similarity NPD3887 Approved
0.7546 Intermediate Similarity NPD7473 Discontinued
0.7518 Intermediate Similarity NPD3225 Approved
0.7517 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD2353 Approved
0.7517 Intermediate Similarity NPD6233 Phase 2
0.7516 Intermediate Similarity NPD2532 Approved
0.7516 Intermediate Similarity NPD2534 Approved
0.7516 Intermediate Similarity NPD2533 Approved
0.7483 Intermediate Similarity NPD4628 Phase 3
0.747 Intermediate Similarity NPD5953 Discontinued
0.745 Intermediate Similarity NPD6100 Approved
0.745 Intermediate Similarity NPD6099 Approved
0.7436 Intermediate Similarity NPD3226 Approved
0.7434 Intermediate Similarity NPD2309 Approved
0.7431 Intermediate Similarity NPD4908 Phase 1
0.7431 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD6559 Discontinued
0.741 Intermediate Similarity NPD17 Approved
0.74 Intermediate Similarity NPD2346 Discontinued
0.7383 Intermediate Similarity NPD4308 Phase 3
0.7371 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD3787 Discontinued
0.7349 Intermediate Similarity NPD5844 Phase 1
0.7347 Intermediate Similarity NPD3140 Approved
0.7347 Intermediate Similarity NPD3142 Approved
0.7347 Intermediate Similarity NPD943 Approved
0.7342 Intermediate Similarity NPD5889 Approved
0.7342 Intermediate Similarity NPD5890 Approved
0.7329 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD2354 Approved
0.7312 Intermediate Similarity NPD4288 Approved
0.7305 Intermediate Similarity NPD1610 Phase 2
0.7297 Intermediate Similarity NPD6355 Discontinued
0.7289 Intermediate Similarity NPD3751 Discontinued
0.7278 Intermediate Similarity NPD6585 Discontinued
0.7273 Intermediate Similarity NPD1876 Approved
0.7267 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD4363 Phase 3
0.7257 Intermediate Similarity NPD4360 Phase 2
0.7254 Intermediate Similarity NPD1608 Approved
0.7233 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD7390 Discontinued
0.7212 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7206 Intermediate Similarity NPD5535 Approved
0.719 Intermediate Similarity NPD1652 Phase 2
0.7188 Intermediate Similarity NPD6280 Approved
0.7188 Intermediate Similarity NPD6279 Approved
0.7188 Intermediate Similarity NPD6844 Discontinued
0.7181 Intermediate Similarity NPD447 Suspended
0.7181 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD5124 Phase 1
0.7181 Intermediate Similarity NPD4340 Discontinued
0.7162 Intermediate Similarity NPD4062 Phase 3
0.7152 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD9545 Approved
0.7143 Intermediate Similarity NPD1465 Phase 2
0.7143 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD5049 Phase 3
0.7122 Intermediate Similarity NPD9493 Approved
0.7119 Intermediate Similarity NPD4361 Phase 2
0.7119 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD6104 Discontinued
0.7095 Intermediate Similarity NPD411 Approved
0.7083 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD4662 Approved
0.707 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD4661 Approved
0.7067 Intermediate Similarity NPD230 Phase 1
0.7048 Intermediate Similarity NPD6808 Phase 2
0.7048 Intermediate Similarity NPD7229 Phase 3
0.7045 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD1894 Discontinued
0.7014 Intermediate Similarity NPD1481 Phase 2
0.7012 Intermediate Similarity NPD6971 Discontinued
0.7007 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD5242 Approved
0.7 Intermediate Similarity NPD1729 Discontinued
0.7 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1613 Approved
0.6988 Remote Similarity NPD7199 Phase 2
0.6987 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6972 Remote Similarity NPD1651 Approved
0.6954 Remote Similarity NPD4622 Approved
0.6954 Remote Similarity NPD4618 Approved
0.6951 Remote Similarity NPD5019 Clinical (unspecified phase)
0.695 Remote Similarity NPD5536 Phase 2
0.6948 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6946 Remote Similarity NPD5711 Approved
0.6946 Remote Similarity NPD5710 Approved
0.6944 Remote Similarity NPD1535 Discovery
0.6943 Remote Similarity NPD7440 Discontinued
0.6914 Remote Similarity NPD8434 Phase 2
0.6914 Remote Similarity NPD6386 Approved
0.6914 Remote Similarity NPD6385 Approved
0.6913 Remote Similarity NPD4625 Phase 3
0.6913 Remote Similarity NPD7095 Approved
0.6903 Remote Similarity NPD2897 Discontinued
0.6894 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6894 Remote Similarity NPD7458 Discontinued
0.6892 Remote Similarity NPD3018 Phase 2
0.689 Remote Similarity NPD5353 Approved

Structure

External Identifiers

PubChem CID   631095
ChEMBL   CHEMBL356036
ZINC  

Physicochemical Properties

Molecular Weight:  342.11
ALogP:  -1.0509
MLogP:  2.89
XLogP:  3.364
# Rotatable Bonds:  9
Polar Surface Area:  63.22
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  25

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