Natural Product: NPC161617

Natural Product ID:  NPC161617
Common Name:   2,4-Dihydroxyacetophenone
IUPAC Name:   1-(2,4-dihydroxyphenyl)ethanone
Synonyms:   2,4-Dihydroxy Acetophenone; 2,4-Dihydroxyacetophenone
Molecular Formula:   C8H8O3
Standard InCHIKey:  SULYEHHGGXARJS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
Canonical SMILES:  Oc1ccc(c(c1)O)C(=O)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
NPO6312 Picea engelmannii Species Pinaceae Eukaryota UNPD*
NPO25874 Tuber borchii Species Tuberaceae Eukaryota UNPD*
NPO5745 Randia formosa Species Rubiaceae Eukaryota UNPD*
NPO28507 Hymenoxys grandiflora Species Asteraceae Eukaryota UNPD*
NPO28214 Phyllosticta cirsii Species Phyllostictaceae Eukaryota UNPD*
NPO10658 Pedicularis rhinanthoides Species Orobanchaceae Eukaryota UNPD*
NPO26809 Synoicum blochmanni Species Polyclinidae Eukaryota UNPD*
NPO28494 Hydroclathrus tenuis Species Scytosiphonaceae Eukaryota UNPD*
NPO28009 Pellina semitubulosa NA NA NA UNPD*
NPO27850 Trichilia catigua Species Meliaceae Eukaryota UNPD*
NPO25999 Ferula communis Species Apiaceae Eukaryota UNPD*
NPO28071 Dendrobates auratus Species Dendrobatidae Eukaryota UNPD*
NPO28228 Kielmeyera rubriflora Species Calophyllaceae Eukaryota UNPD*
NPO8809 Cynanchum wilfordii Species Apocynaceae Eukaryota UNPD*
NPO10135 Tripteris microcarpa Species Asteraceae Eukaryota UNPD*
NPO1017 Dendrobium gibsonii Species Orchidaceae Eukaryota UNPD*
NPO28197 Huperzia selago Species Lycopodiaceae Eukaryota UNPD*
NPO5486 Helicoon richonis Species Orbiliaceae Eukaryota UNPD*
NPO29042 Vincetoxicum atratum Species Apocynaceae Eukaryota UNPD*
NPO8276 Harpullia ramiflora Species Sapindaceae Eukaryota UNPD*
NPO13333 Paenibacillus thiaminolyticus Species Paenibacillaceae Bacteria UNPD*
NPO28479 Campanula hypopolia Species Campanulaceae Eukaryota UNPD*
NPO4983 Bromelia pinguin Species Bromeliaceae Eukaryota UNPD*
NPO28574 Oroxylum indicum Species Bignoniaceae Eukaryota UNPD*
NPO28282 Turbina corymbosa Species Convolvulaceae Eukaryota UNPD*
NPO26953 Hebeloma senescens Species Cortinariaceae Eukaryota UNPD*
NPO29373 Trichoplusia ni Species Noctuidae Eukaryota UNPD*
NPO55 Croton urucurana Species Euphorbiaceae Eukaryota UNPD*
NPO26885 Dictyosphaeria favulosa Species Siphonocladaceae Eukaryota UNPD*
NPO12693 Mesembryanthemum tortuosum Species Aizoaceae Eukaryota UNPD*
NPO28543 Alcyonium coralloides Species Alcyoniidae Eukaryota UNPD*
NPO26214 Baccharis artemisioides Species Asteraceae Eukaryota UNPD*
NPO28300 Sorbaria arborea Species Rosaceae Eukaryota UNPD*
NPO28372 Corydalis pallida Species Papaveraceae Eukaryota UNPD*
NPO6086 Axinella polypoides Species Axinellidae Eukaryota UNPD*
NPO28593 Pteris pedata Species Pteridaceae Eukaryota UNPD*
NPO25900 Pteris podophylla Species Pteridaceae Eukaryota UNPD*
NPO28443 Larix lyallii Species Pinaceae Eukaryota UNPD*
NPO28176 Russula lepida Species Russulaceae Eukaryota UNPD*
NPO25330 Maackia floribunda Species Fabaceae Eukaryota UNPD*
NPO2641 Marsupella aquatica Species Gymnomitriaceae Eukaryota UNPD*
NPO626 Indigofera tinctoria Species Fabaceae Eukaryota UNPD*
NPO25823 Haminoea navicula Species Haminoeidae Eukaryota UNPD*
NPO3834 Periplaneta americana Species Blattoidae Eukaryota UNPD*
NPO26455 Merwilla natalensis Species Hyacinthaceae Eukaryota UNPD*
NPO28333 Syzygium levinei Species Myrtaceae Eukaryota UNPD*
NPO25927 Dictyota dentata Species Dictyotaceae Eukaryota UNPD*
NPO28404 Chasmanthera dependens Species Menispermaceae Eukaryota UNPD*
NPO27918 Pterocarpus macrocarpus Species Fabaceae Eukaryota UNPD*
NPO28316 Scandix pecten-veneris Species Apiaceae Eukaryota UNPD*
NPO27831 Phakellia flabellata Species Bubaridae Eukaryota UNPD*
NPO10515 Angelicae sinensis radix NA NA NA TCMSP*
NPO27956 Eupatoriastrum nelsonii NA NA NA UNPD*
NPO24288 Radix cynanchi Species Lymnaeidae Eukaryota TCMSP*
NPO28425 Senecio miser Species Asteraceae Eukaryota UNPD*
NPO24892 Cortex moutan NA NA NA TCMSP*
NPO4538 Paysonia densipila Species Brassicaceae Eukaryota UNPD*
NPO28158 Polygala fruticosa Species Polygalaceae Eukaryota UNPD*
NPO8407 Polyporus fomentarius Species Polyporaceae Eukaryota UNPD*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO8680 Polypodium niponicum Species Polypodiaceae Eukaryota UNPD*
NPO28651 Othonna tagetes Species Asteraceae Eukaryota UNPD*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO27906 Philadelphus coronarius Species Hydrangeaceae Eukaryota UNPD*
NPO23643 Thalictrum aquilegiifolium Species Ranunculaceae Eukaryota UNPD*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO27973 Simaba cuneata Species Simaroubaceae Eukaryota UNPD*
NPO28461 Crepis czerepanovii Species Asteraceae Eukaryota UNPD*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO28100 Jacobaea othonnae Species Asteraceae Eukaryota UNPD*
NPO27891 Lethariella sinensis Species Parmeliaceae Eukaryota UNPD*
NPO29042 Vincetoxicum atratum Species Apocynaceae Eukaryota TM-MC*
NPO9245 Ventilago madraspatana Species Rhamnaceae Eukaryota UNPD*
NPO8942 Hedysarum coronarium Species Fabaceae Eukaryota UNPD*
NPO24694 Vincetoxicum pycnostelma Species Apocynaceae Eukaryota TM-MC*
NPO28525 Urginea riparia Species Hyacinthaceae Eukaryota UNPD*
NPO26982 Callyspongia siphonella Species Callyspongiidae Eukaryota UNPD*
NPO842 Vincetoxicum versicolor Species Apocynaceae Eukaryota TM-MC*
NPO27938 Meliosma wightii Species Sabiaceae Eukaryota UNPD*
NPO28050 Thalictrum podocarpum Species Ranunculaceae Eukaryota UNPD*
NPO8809 Cynanchum wilfordii Species Apocynaceae Eukaryota TM-MC*
NPO14547.1 Ilex pubescens var. glaber Varieties Aquifoliaceae Eukaryota HerDing*
NPO28611 Phragmatobia fuliginosa Species Erebidae Eukaryota UNPD*
NPO28668 Agave cocui Species Asparagaceae Eukaryota UNPD*
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota UNPD*
NPO15265 Paeonia rockii Species Paeoniaceae Eukaryota Root PMID[21954959]
NPO8531 Centaurea ferox Species Asteraceae Eukaryota UNPD*
NPO28107 Penicillium expansum Species Aspergillaceae Eukaryota UNPD*
NPO14547.1 Ilex pubescens var. glaber Varieties Aquifoliaceae Eukaryota TCMID*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCM_Taiwan*
NPO26324 Fevillea cordifolia Species Cucurbitaceae Eukaryota UNPD*
NPO7220 Artemisia latifolia Species Asteraceae Eukaryota UNPD*
NPO7170 Tylophora ovata Species Apocynaceae Eukaryota TCMID*
NPO30745 Chrysanthemum morifolium Species Asteraceae Eukaryota HerDing*
NPO280 Dysidea chlorea Species Dysideidae Eukaryota UNPD*
NPO11786 Cylindropuntia leptocaulis Species Cactaceae Eukaryota UNPD*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 14 % 17400458
NPT2 Others Unspecified Ki = 33.31 nM 18423943
NPT2 Others Unspecified Ki = 32.1 nM 18423943
NPT2875 Individual Protein Solute carrier family 28 member 3 Homo sapiens Ki > 100000 nM 19097778
NPT2 Others Unspecified IC50 > 100000 nM 21696954
NPT2 Others Unspecified IC50 = 45000 nM 21696954
NPT81 Cell Line A549 Homo sapiens IC50 > 100000 nM 21696954
NPT306 Cell Line PC-3 Homo sapiens IC50 > 100000 nM 21696954
NPT170 Cell Line SK-MEL-28 Homo sapiens IC50 > 100000 nM 21696954
NPT114 Cell Line LoVo Homo sapiens IC50 = 97000 nM 21696954
NPT2 Others Unspecified IC50 = 700000 nM 926120
NPT2 Others Unspecified IC50 = 520000 nM 926120
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 127 % 926120
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 77 % 926120

  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 NPC161617 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
0.9732 High Similarity NPC209486
0.9732 High Similarity NPC40649
0.9652 High Similarity NPC309765
0.9649 High Similarity NPC297186
0.9565 High Similarity NPC45438
0.9565 High Similarity NPC115159
0.9565 High Similarity NPC303737
0.9565 High Similarity NPC267552
0.9565 High Similarity NPC73532
0.9565 High Similarity NPC143427
0.9565 High Similarity NPC156139
0.9565 High Similarity NPC19174
0.9565 High Similarity NPC224273
0.9561 High Similarity NPC294037
0.955 High Similarity NPC276111
0.955 High Similarity NPC118288
0.9483 High Similarity NPC133909
0.9483 High Similarity NPC32032
0.9478 High Similarity NPC146642
0.9478 High Similarity NPC149246
0.9397 High Similarity NPC215392
0.9397 High Similarity NPC242895
0.9328 High Similarity NPC62952
0.9322 High Similarity NPC13238
0.9316 High Similarity NPC91105
0.9304 High Similarity NPC158222
0.9298 High Similarity NPC121259
0.925 High Similarity NPC103356
0.925 High Similarity NPC266689
0.925 High Similarity NPC23126
0.925 High Similarity NPC105157
0.925 High Similarity NPC30501
0.925 High Similarity NPC162612
0.925 High Similarity NPC100067
0.925 High Similarity NPC190043
0.925 High Similarity NPC169250
0.925 High Similarity NPC72158
0.925 High Similarity NPC98254
0.9237 High Similarity NPC65761
0.9237 High Similarity NPC472029
0.9231 High Similarity NPC226275
0.9224 High Similarity NPC159525
0.9217 High Similarity NPC283844
0.9217 High Similarity NPC241089
0.9174 High Similarity NPC473017
0.9174 High Similarity NPC21305
0.9174 High Similarity NPC221777
0.9174 High Similarity NPC186098
0.9174 High Similarity NPC80694
0.9167 High Similarity NPC8745
0.9167 High Similarity NPC267846
0.9098 High Similarity NPC474998
0.9091 High Similarity NPC116513
0.9083 High Similarity NPC475733
0.9083 High Similarity NPC477454
0.9083 High Similarity NPC10926
0.9068 High Similarity NPC196976
0.9009 High Similarity NPC224584
0.9008 High Similarity NPC95309
0.9008 High Similarity NPC473691
0.8974 High Similarity NPC195262
0.8974 High Similarity NPC188814
0.8966 High Similarity NPC230349
0.8952 High Similarity NPC475042
0.8952 High Similarity NPC198249
0.8943 High Similarity NPC102829
0.8943 High Similarity NPC120488
0.8943 High Similarity NPC92624
0.8943 High Similarity NPC476119
0.8934 High Similarity NPC128428
0.8934 High Similarity NPC305518
0.8926 High Similarity NPC262671
0.8926 High Similarity NPC201728
0.8919 High Similarity NPC226699
0.888 High Similarity NPC313618
0.888 High Similarity NPC64359
0.888 High Similarity NPC308037
0.888 High Similarity NPC262359
0.8871 High Similarity NPC26697
0.8871 High Similarity NPC259942
0.8862 High Similarity NPC41263
0.8829 High Similarity NPC6984
0.8824 High Similarity NPC248363
0.881 High Similarity NPC205468
0.881 High Similarity NPC213485
0.881 High Similarity NPC87231
0.881 High Similarity NPC129132
0.881 High Similarity NPC40524
0.881 High Similarity NPC257756
0.881 High Similarity NPC139074
0.881 High Similarity NPC212631
0.88 High Similarity NPC469526
0.88 High Similarity NPC34070
0.879 High Similarity NPC69235
0.879 High Similarity NPC78662
0.879 High Similarity NPC212379
0.879 High Similarity NPC8005
0.879 High Similarity NPC60558
0.879 High Similarity NPC109123
0.8783 High Similarity NPC242136
0.8783 High Similarity NPC223004
0.8772 High Similarity NPC114682
0.8761 High Similarity NPC95172
0.874 High Similarity NPC282780
0.874 High Similarity NPC337373
0.874 High Similarity NPC166480
0.874 High Similarity NPC139813
0.874 High Similarity NPC472365
0.874 High Similarity NPC312318
0.874 High Similarity NPC242294
0.874 High Similarity NPC56031
0.874 High Similarity NPC263670
0.874 High Similarity NPC192304
0.874 High Similarity NPC188646
0.874 High Similarity NPC175098
0.873 High Similarity NPC135801
0.873 High Similarity NPC175738
0.872 High Similarity NPC247477
0.872 High Similarity NPC307732
0.872 High Similarity NPC42292
0.872 High Similarity NPC233056
0.872 High Similarity NPC17840
0.872 High Similarity NPC185497
0.871 High Similarity NPC179898
0.8672 High Similarity NPC470210
0.8672 High Similarity NPC164136
0.8672 High Similarity NPC61153
0.8672 High Similarity NPC283590
0.8672 High Similarity NPC130899
0.8672 High Similarity NPC70859
0.8672 High Similarity NPC286336
0.8651 High Similarity NPC5515
0.8651 High Similarity NPC270369
0.8651 High Similarity NPC275504
0.864 High Similarity NPC230818
0.8618 High Similarity NPC65041
0.8605 High Similarity NPC65005
0.8605 High Similarity NPC475955
0.8605 High Similarity NPC264112
0.8605 High Similarity NPC474726
0.8605 High Similarity NPC151113
0.8605 High Similarity NPC131039
0.8605 High Similarity NPC194764
0.8594 High Similarity NPC204960
0.8594 High Similarity NPC57601
0.8594 High Similarity NPC159623
0.8594 High Similarity NPC44437
0.8594 High Similarity NPC294593
0.8594 High Similarity NPC18877
0.8594 High Similarity NPC20560
0.8594 High Similarity NPC144051
0.8594 High Similarity NPC28753
0.8594 High Similarity NPC82225
0.8583 High Similarity NPC294964
0.8583 High Similarity NPC31872
0.8583 High Similarity NPC473584
0.8583 High Similarity NPC475589
0.8571 High Similarity NPC84772
0.8571 High Similarity NPC273282
0.8571 High Similarity NPC147757
0.8571 High Similarity NPC474890
0.8571 High Similarity NPC161943
0.8571 High Similarity NPC247779
0.8571 High Similarity NPC62219
0.856 High Similarity NPC293453
0.8548 High Similarity NPC328983
0.8548 High Similarity NPC473751
0.8538 High Similarity NPC477244
0.8538 High Similarity NPC66349
0.8538 High Similarity NPC240593
0.8538 High Similarity NPC477243
0.8538 High Similarity NPC213603
0.8538 High Similarity NPC98115
0.8538 High Similarity NPC41461
0.8538 High Similarity NPC25287
0.8538 High Similarity NPC249606
0.8538 High Similarity NPC472367
0.8538 High Similarity NPC12165
0.8538 High Similarity NPC53414
0.8538 High Similarity NPC477242
0.8538 High Similarity NPC290030
0.8538 High Similarity NPC222633
0.8538 High Similarity NPC1486
0.8538 High Similarity NPC186838
0.8538 High Similarity NPC150399
0.8538 High Similarity NPC473391
0.8538 High Similarity NPC472364
0.8538 High Similarity NPC53206
0.8538 High Similarity NPC274109
0.8538 High Similarity NPC476333
0.8538 High Similarity NPC168105
0.8527 High Similarity NPC172262
0.8516 High Similarity NPC267205
0.8516 High Similarity NPC48036
0.8516 High Similarity NPC25937
0.8516 High Similarity NPC203817
0.8516 High Similarity NPC10971
0.8512 High Similarity NPC229649
0.8509 High Similarity NPC100551
0.8509 High Similarity NPC17525

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC161617 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
0.888 High Similarity NPD1240 Approved
0.874 High Similarity NPD1607 Approved
0.873 High Similarity NPD943 Approved
0.8509 High Similarity NPD9266 Approved
0.8509 High Similarity NPD74 Approved
0.8462 Intermediate Similarity NPD1510 Phase 2
0.8462 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD9267 Approved
0.8421 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD9263 Approved
0.8421 Intermediate Similarity NPD9264 Approved
0.8403 Intermediate Similarity NPD9493 Approved
0.8271 Intermediate Similarity NPD1549 Phase 2
0.8195 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8195 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8142 Intermediate Similarity NPD846 Approved
0.8142 Intermediate Similarity NPD940 Approved
0.8115 Intermediate Similarity NPD9545 Approved
0.8099 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.807 Intermediate Similarity NPD9261 Approved
0.8049 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.8031 Intermediate Similarity NPD1164 Approved
0.8 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD1201 Approved
0.7937 Intermediate Similarity NPD9269 Phase 2
0.7934 Intermediate Similarity NPD9281 Approved
0.7914 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7914 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7903 Intermediate Similarity NPD9268 Approved
0.7891 Intermediate Similarity NPD1470 Approved
0.7852 Intermediate Similarity NPD2796 Approved
0.7842 Intermediate Similarity NPD7390 Discontinued
0.7842 Intermediate Similarity NPD1511 Approved
0.7795 Intermediate Similarity NPD9717 Approved
0.7754 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD1512 Approved
0.7714 Intermediate Similarity NPD6799 Approved
0.7687 Intermediate Similarity NPD230 Phase 1
0.7639 Intermediate Similarity NPD4380 Phase 2
0.763 Intermediate Similarity NPD6651 Approved
0.7615 Intermediate Similarity NPD1203 Approved
0.7591 Intermediate Similarity NPD1551 Phase 2
0.7586 Intermediate Similarity NPD7411 Suspended
0.7554 Intermediate Similarity NPD1243 Approved
0.7554 Intermediate Similarity NPD2800 Approved
0.7536 Intermediate Similarity NPD2344 Approved
0.7534 Intermediate Similarity NPD1934 Approved
0.75 Intermediate Similarity NPD3882 Suspended
0.75 Intermediate Similarity NPD3750 Approved
0.7483 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD2801 Approved
0.7464 Intermediate Similarity NPD5405 Approved
0.7464 Intermediate Similarity NPD5406 Approved
0.7464 Intermediate Similarity NPD5404 Approved
0.7464 Intermediate Similarity NPD2935 Discontinued
0.7464 Intermediate Similarity NPD5408 Approved
0.745 Intermediate Similarity NPD7075 Discontinued
0.7442 Intermediate Similarity NPD422 Phase 1
0.7436 Intermediate Similarity NPD1242 Phase 1
0.7432 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD2654 Approved
0.7397 Intermediate Similarity NPD6599 Discontinued
0.7365 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD7819 Suspended
0.7333 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3749 Approved
0.7324 Intermediate Similarity NPD2309 Approved
0.7297 Intermediate Similarity NPD6801 Discontinued
0.7293 Intermediate Similarity NPD2798 Approved
0.7292 Intermediate Similarity NPD2533 Approved
0.7292 Intermediate Similarity NPD2534 Approved
0.7292 Intermediate Similarity NPD2532 Approved
0.7279 Intermediate Similarity NPD520 Approved
0.7273 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD4750 Phase 3
0.7206 Intermediate Similarity NPD411 Approved
0.7192 Intermediate Similarity NPD920 Approved
0.7183 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD447 Suspended
0.7172 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD2934 Approved
0.7155 Intermediate Similarity NPD2933 Approved
0.7152 Intermediate Similarity NPD7768 Phase 2
0.7143 Intermediate Similarity NPD1241 Discontinued
0.7143 Intermediate Similarity NPD2799 Discontinued
0.7143 Intermediate Similarity NPD3748 Approved
0.7121 Intermediate Similarity NPD3972 Approved
0.7117 Intermediate Similarity NPD111 Approved
0.7111 Intermediate Similarity NPD9494 Approved
0.7107 Intermediate Similarity NPD1237 Approved
0.7105 Intermediate Similarity NPD9258 Approved
0.7105 Intermediate Similarity NPD9256 Approved
0.7094 Intermediate Similarity NPD2859 Approved
0.7094 Intermediate Similarity NPD2860 Approved
0.7086 Intermediate Similarity NPD3817 Phase 2
0.708 Intermediate Similarity NPD3764 Approved
0.7075 Intermediate Similarity NPD5403 Approved
0.7059 Intermediate Similarity NPD6832 Phase 2
0.7055 Intermediate Similarity NPD5401 Approved
0.7051 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD6166 Phase 2
0.7051 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1019 Discontinued
0.7032 Intermediate Similarity NPD6232 Discontinued
0.7031 Intermediate Similarity NPD256 Approved
0.7031 Intermediate Similarity NPD255 Approved
0.7009 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7473 Discontinued
0.7 Intermediate Similarity NPD1548 Phase 1
0.7 Intermediate Similarity NPD1759 Phase 1
0.6972 Remote Similarity NPD6100 Approved
0.6972 Remote Similarity NPD6099 Approved
0.6968 Remote Similarity NPD6959 Discontinued
0.6962 Remote Similarity NPD3818 Discontinued
0.6957 Remote Similarity NPD2313 Discontinued
0.6949 Remote Similarity NPD1809 Phase 2
0.6949 Remote Similarity NPD844 Approved
0.6937 Remote Similarity NPD5953 Discontinued
0.6923 Remote Similarity NPD1758 Phase 1
0.6923 Remote Similarity NPD845 Approved
0.6918 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6918 Remote Similarity NPD6020 Phase 2
0.6918 Remote Similarity NPD7054 Approved
0.6918 Remote Similarity NPD7286 Phase 2
0.6917 Remote Similarity NPD3020 Approved
0.6894 Remote Similarity NPD3019 Approved
0.6894 Remote Similarity NPD2932 Approved
0.6891 Remote Similarity NPD288 Approved
0.6875 Remote Similarity NPD7074 Phase 3
0.6875 Remote Similarity NPD1729 Discontinued
0.6875 Remote Similarity NPD7472 Approved
0.686 Remote Similarity NPD289 Clinical (unspecified phase)
0.6847 Remote Similarity NPD9089 Approved
0.6846 Remote Similarity NPD9568 Approved
0.6839 Remote Similarity NPD919 Approved
0.6838 Remote Similarity NPD2797 Approved
0.6835 Remote Similarity NPD3268 Approved
0.6835 Remote Similarity NPD1296 Phase 2
0.6832 Remote Similarity NPD6797 Phase 2
0.6831 Remote Similarity NPD9279 Approved
0.6818 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6815 Remote Similarity NPD1755 Approved
0.6803 Remote Similarity NPD3300 Phase 2
0.6795 Remote Similarity NPD5494 Approved
0.6791 Remote Similarity NPD1610 Phase 2
0.679 Remote Similarity NPD7251 Discontinued
0.6783 Remote Similarity NPD4308 Phase 3
0.6781 Remote Similarity NPD1196 Approved
0.6781 Remote Similarity NPD4628 Phase 3
0.6781 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6765 Remote Similarity NPD1876 Approved
0.6757 Remote Similarity NPD1543 Discontinued
0.6757 Remote Similarity NPD9093 Approved
0.6755 Remote Similarity NPD3226 Approved
0.6754 Remote Similarity NPD9257 Approved
0.6754 Remote Similarity NPD9259 Approved
0.6753 Remote Similarity NPD5402 Approved
0.6753 Remote Similarity NPD2296 Approved
0.6752 Remote Similarity NPD1247 Approved
0.6748 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6748 Remote Similarity NPD7808 Phase 3
0.6746 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6741 Remote Similarity NPD1608 Approved
0.6733 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6719 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6712 Remote Similarity NPD1195 Approved
0.6711 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6694 Remote Similarity NPD9273 Approved
0.669 Remote Similarity NPD1899 Clinical (unspecified phase)
0.669 Remote Similarity NPD1933 Approved
0.669 Remote Similarity NPD2346 Discontinued
0.6688 Remote Similarity NPD1465 Phase 2
0.6687 Remote Similarity NPD6559 Discontinued
0.6667 Remote Similarity NPD3926 Phase 2
0.6646 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6644 Remote Similarity NPD9277 Approved
0.6644 Remote Similarity NPD75 Approved
0.6642 Remote Similarity NPD3225 Approved
0.6639 Remote Similarity NPD1202 Approved
0.662 Remote Similarity NPD3142 Approved
0.662 Remote Similarity NPD468 Phase 1
0.662 Remote Similarity NPD3140 Approved
0.6618 Remote Similarity NPD1481 Phase 2
0.6613 Remote Similarity NPD1929 Approved
0.6613 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6613 Remote Similarity NPD1930 Approved
0.6604 Remote Similarity NPD5711 Approved
0.6604 Remote Similarity NPD5710 Approved
0.6594 Remote Similarity NPD3267 Approved
0.6594 Remote Similarity NPD3266 Approved
0.6585 Remote Similarity NPD6104 Discontinued
0.6575 Remote Similarity NPD9274 Approved
0.6575 Remote Similarity NPD9276 Approved
0.6575 Remote Similarity NPD1471 Phase 3
0.6575 Remote Similarity NPD9278 Suspended
0.6575 Remote Similarity NPD9275 Approved

Structure

External Identifiers

PubChem CID   6990
ChEMBL   CHEMBL243374
ZINC  

Physicochemical Properties

Molecular Weight:  152.05
ALogP:  -1.1745
MLogP:  2.01
XLogP:  0.801
# Rotatable Bonds:  4
Polar Surface Area:  57.53
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  11

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Structure MOL file  
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Biological Activities  
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