Natural Product: NPC93843

Natural Product ID:  NPC93843
Common Name:   (4-Propan-2-Ylphenyl)Methanol
IUPAC Name:   (4-propan-2-ylphenyl)methanol
Synonyms:  
Molecular Formula:   C10H14O
Standard InCHIKey:  OIGWAXDAPKFNCQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
Canonical SMILES:  OCc1ccc(cc1)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
NPO2898 Quercus sessiliflora Species Fagaceae Eukaryota UNPD*
NPO777 Kielmeyera coriacea Species Calophyllaceae Eukaryota UNPD*
NPO7447 Nemalion vermiculare Species Liagoraceae Eukaryota UNPD*
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota TCM_Taiwan*
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota TCMID*
NPO24347 Stereocaulon sasakii Species Stereocaulaceae Eukaryota UNPD*
NPO8642 Lithospermum officinale Species Boraginaceae Eukaryota UNPD*
NPO9995 Cynara humilis Species Asteraceae Eukaryota UNPD*
NPO8256 Zanthoxylum armatum Species Rutaceae Eukaryota Seeds PMID[20628994]
NPO4120 Ulmus americana Species Ulmaceae Eukaryota UNPD*
NPO6320 Echinosophora koreensis Species Fabaceae Eukaryota UNPD*
NPO26211 Knightia excelsa Species Proteaceae Eukaryota UNPD*
NPO9733 Spongia bilamellata Species Spongiidae Eukaryota UNPD*
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota HerDing*
NPO7028 Sida veronicaefolia Species Malvaceae Eukaryota UNPD*
NPO26900 Vallota purpurea NA NA NA UNPD*
NPO26406 Saussurea carthamoides Species Asteraceae Eukaryota UNPD*
NPO6894 Elegia deusta Species Restionaceae Eukaryota UNPD*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota pericarp PMID[20628994]
NPO5604 Chelonia japonica Species Cheloniidae Eukaryota UNPD*
NPO25949 Streptomyces griseovariabilis Species Streptomycetaceae Bacteria UNPD*
NPO6378 Wilcoxia viperina NA NA NA UNPD*
NPO26349 Frullania tamarisci Species Frullaniaceae Eukaryota UNPD*
NPO26351 Agastache rugosa Species Lamiaceae Eukaryota TM-MC*
NPO25972 Eupolyphaga sinensis Species Corydiidae Eukaryota UNPD*
NPO20059.1 Lactobacillus delbrueckii subsp. bulgaricus Subspecies Lactobacillaceae Bacteria UNPD*
NPO26607 Colobocentrotus atratus Species Echinidae Eukaryota UNPD*
NPO26654 Penicillium citreonigrum Species Aspergillaceae Eukaryota UNPD*
NPO26023 Angelica tarokoensis Species Apiaceae Eukaryota UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO9087 Sarcococca vagans Species Buxaceae Eukaryota UNPD*
NPO25870 Vaccinium vitis-idaea Species Ericaceae Eukaryota UNPD*
NPO26624 Ilex amara Species Aquifoliaceae Eukaryota UNPD*
NPO10264 Platonia insignis Species Clusiaceae Eukaryota UNPD*
NPO4200 Artemisia messerschmidtiana Species Asteraceae Eukaryota UNPD*
NPO26319 Solanum acaule Species Solanaceae Eukaryota UNPD*
NPO12970 Aspergillus fischeri Species Aspergillaceae Eukaryota UNPD*
NPO1682 Rhytidoponera metallica Species Formicidae Eukaryota UNPD*
NPO25739 Erysimum odoratum Species Brassicaceae Eukaryota UNPD*
NPO25923 Vismia jefensis Species Hypericaceae Eukaryota UNPD*
NPO26451 Ophiocoma scolopendrina Species Ophiocomidae Eukaryota UNPD*
NPO8022 Consolida hohenackeri Species Ranunculaceae Eukaryota UNPD*
NPO26806 Nidula candida Species Nidulariaceae Eukaryota UNPD*
NPO2999 Coprinellus flocculosus Species Psathyrellaceae Eukaryota UNPD*
NPO26161 Globba malaccensis Species Zingiberaceae Eukaryota UNPD*
NPO2199 Tecoma pentaphylla Species Bignoniaceae Eukaryota UNPD*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota UNPD*
NPO25896 Bragantia wallichii NA NA NA UNPD*
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO7650 Salvia munzii Species Lamiaceae Eukaryota UNPD*
NPO9590 Xanthoria aureola Species Teloschistaceae Eukaryota UNPD*
NPO26561 Micromeria pineolens Species Lamiaceae Eukaryota UNPD*
NPO14793 Erica glauca Species Ericaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO23075 Primula macrophylla Species Primulaceae Eukaryota UNPD*
NPO26374 Alangium premnifolium Species Cornaceae Eukaryota UNPD*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO3341 Leishmania major Species Trypanosomatidae Eukaryota UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO26584 Gnidia lamprantha Species Thymelaeaceae Eukaryota UNPD*
NPO26184 Diphasia angolensis Species Rutaceae Eukaryota UNPD*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*
NPO26134 Epimedium davidii Species Berberidaceae Eukaryota UNPD*
NPO9221 Trachelospermum lucidum Species Apocynaceae Eukaryota UNPD*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO25995 Laurencia distichophylla Species Rhodomelaceae Eukaryota UNPD*
NPO15870 Corydalis nakaii Species Papaveraceae Eukaryota UNPD*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota TM-MC*
NPO16266 Didymium bahiense Species Didymiaceae Eukaryota UNPD*
NPO10128 Aplysia punctata Species Aplysiidae Eukaryota UNPD*
NPO4523 Reaumuria hirtella Species Tamaricaceae Eukaryota UNPD*
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota UNPD*
NPO5852 Litsea glutinosa Species Lauraceae Eukaryota UNPD*
NPO6556 Garcinia intermedia Species Clusiaceae Eukaryota UNPD*
NPO646 Moslae herba NA NA NA TCMSP*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO1070 Matricaria suffruticosa Species Asteraceae Eukaryota UNPD*
NPO1467 Wedelia prostrata Species Asteraceae Eukaryota UNPD*
NPO29657 Zanthoxyli pericarpium NA NA NA TCMSP*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TM-MC*
NPO25769 Heterotheca inuloides Species Asteraceae Eukaryota UNPD*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO17331 Radix clematidis Species Lymnaeidae Eukaryota TCMSP*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO26950 Maba buxifolia Species Ebenaceae Eukaryota UNPD*
NPO26287 Spodoptera eridania Species Noctuidae Eukaryota UNPD*
NPO29555 Evodiae fructus NA NA NA TCMSP*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO15558 Leucas neufliseana Species Lamiaceae Eukaryota UNPD*
NPO6801 Bellium bellidioides Species Asteraceae Eukaryota UNPD*
NPO3724 Amomum neoaurantiacum Species Zingiberaceae Eukaryota TCMSP*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO2015 Udotea petiolata Species Udoteaceae Eukaryota UNPD*
NPO27606 Ulva clathrata Species Ulvaceae Eukaryota UNPD*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO24083.1 Melanelixia fuliginosa subsp. glabratula Subspecies Parmeliaceae Eukaryota UNPD*
NPO8253 Alexandrium hiranoi Species Gonyaulacaceae Eukaryota UNPD*
NPO11871 Illicium difengpi Species Schisandraceae Eukaryota HerDing*
NPO15810 Zea mays Species Poaceae Eukaryota TM-MC*
NPO26699 Leonurus glaucescens Species Lamiaceae Eukaryota UNPD*
NPO26507 Galenia africana Species Aizoaceae Eukaryota UNPD*
NPO14077 Chamaecyparis lawsoniana Species Cupressaceae Eukaryota Leaves PMID[23157017]
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota TCMID*
NPO26834 Eutypella scoparia Species Diatrypaceae Eukaryota UNPD*
NPO5510 Lepidium draba Species Brassicaceae Eukaryota UNPD*
NPO2892 Wikstroemia chamaedaphne Species Thymelaeaceae Eukaryota UNPD*
NPO14077 Chamaecyparis lawsoniana Species Cupressaceae Eukaryota Stems PMID[23157017]
NPO11871 Illicium difengpi Species Schisandraceae Eukaryota TCMID*
NPO26927 Salacia madagascariensis Species Celastraceae Eukaryota UNPD*
NPO25792 Delphinium andersoni Species Ranunculaceae Eukaryota UNPD*
NPO4895 Coleus esquirolii Species Lamiaceae Eukaryota UNPD*
NPO14621 Cuminum cyminum Species Apiaceae Eukaryota Seeds PMID[23507295]
NPO13730 Magnolia liliiflora Species Magnoliaceae Eukaryota TCMID*
NPO7847 Senecio densiflorus Species Asteraceae Eukaryota UNPD*
NPO26898 Jacobaea vulgaris Species Asteraceae Eukaryota UNPD*
NPO9476 Metapenaeus bennettae Species Penaeidae Eukaryota UNPD*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota HerDing*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TCMID*
NPO13438 Centaurea calcitrapa Species Asteraceae Eukaryota UNPD*
NPO26052 Swertia delavayi Species Gentianaceae Eukaryota UNPD*
NPO7841 Solanum transcaucasicum Species Solanaceae Eukaryota UNPD*
NPO30851 Magnolia liliflora Species Magnoliaceae Eukaryota HerDing*
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 43651.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1380.2 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 27542.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6166 nM PubChem BioAssay data set
NPT554 Organism Candida glabrata Candida glabrata MFC = 500 ug/ml 25686593
NPT554 Organism Candida glabrata Candida glabrata IC50 = 7.09 ug/ml 25686593
NPT20 Organism Candida albicans Candida albicans MFC = 1000 ug/ml 25686593
NPT20 Organism Candida albicans Candida albicans IC50 = 81.47 ug/ml 25686593
NPT186 Organism Candida tropicalis Candida tropicalis IC50 = 44.77 ug/ml 25686593
NPT186 Organism Candida tropicalis Candida tropicalis MFC = 1000 ug/ml 25686593
NPT2 Others Unspecified Potency 9771.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34669.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24544.2 nM PubChem BioAssay data set

  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 NPC93843 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
0.9405 High Similarity NPC1793
0.9268 High Similarity NPC168855
0.9186 High Similarity NPC79917
0.9157 High Similarity NPC474354
0.9146 High Similarity NPC172984
0.9048 High Similarity NPC474211
0.9036 High Similarity NPC304538
0.9024 High Similarity NPC103326
0.9024 High Similarity NPC87299
0.9024 High Similarity NPC99394
0.9024 High Similarity NPC329319
0.9 High Similarity NPC224544
0.8902 High Similarity NPC133050
0.8902 High Similarity NPC117180
0.8875 High Similarity NPC66655
0.8864 High Similarity NPC128645
0.8652 High Similarity NPC314690
0.8523 High Similarity NPC199567
0.85 High Similarity NPC108218
0.8421 Intermediate Similarity NPC19856
0.8404 Intermediate Similarity NPC289117
0.8353 Intermediate Similarity NPC106313
0.8333 Intermediate Similarity NPC475225
0.8333 Intermediate Similarity NPC328178
0.8333 Intermediate Similarity NPC315794
0.828 Intermediate Similarity NPC259512
0.828 Intermediate Similarity NPC312132
0.825 Intermediate Similarity NPC208302
0.8247 Intermediate Similarity NPC243601
0.8247 Intermediate Similarity NPC471133
0.8242 Intermediate Similarity NPC304541
0.8229 Intermediate Similarity NPC471228
0.8229 Intermediate Similarity NPC235762
0.8211 Intermediate Similarity NPC469481
0.8211 Intermediate Similarity NPC174911
0.8191 Intermediate Similarity NPC79241
0.8191 Intermediate Similarity NPC6597
0.8171 Intermediate Similarity NPC189371
0.809 Intermediate Similarity NPC211237
0.8081 Intermediate Similarity NPC472980
0.8081 Intermediate Similarity NPC472979
0.8081 Intermediate Similarity NPC66834
0.8081 Intermediate Similarity NPC27252
0.8022 Intermediate Similarity NPC258219
0.8021 Intermediate Similarity NPC72729
0.8 Intermediate Similarity NPC64642
0.8 Intermediate Similarity NPC474073
0.8 Intermediate Similarity NPC149455
0.8 Intermediate Similarity NPC472982
0.7979 Intermediate Similarity NPC21959
0.7978 Intermediate Similarity NPC243166
0.7957 Intermediate Similarity NPC138117
0.7957 Intermediate Similarity NPC325292
0.7957 Intermediate Similarity NPC55903
0.7938 Intermediate Similarity NPC60373
0.7938 Intermediate Similarity NPC154905
0.7938 Intermediate Similarity NPC304873
0.7935 Intermediate Similarity NPC220596
0.7935 Intermediate Similarity NPC300017
0.7931 Intermediate Similarity NPC283012
0.7931 Intermediate Similarity NPC475199
0.7917 Intermediate Similarity NPC33675
0.7917 Intermediate Similarity NPC299762
0.7912 Intermediate Similarity NPC27974
0.7875 Intermediate Similarity NPC82770
0.7875 Intermediate Similarity NPC78954
0.7875 Intermediate Similarity NPC239931
0.7872 Intermediate Similarity NPC152415
0.7872 Intermediate Similarity NPC316301
0.7872 Intermediate Similarity NPC27323
0.7865 Intermediate Similarity NPC99482
0.7849 Intermediate Similarity NPC231150
0.7849 Intermediate Similarity NPC155908
0.7849 Intermediate Similarity NPC306074
0.7843 Intermediate Similarity NPC133308
0.7826 Intermediate Similarity NPC242240
0.7826 Intermediate Similarity NPC318325
0.7826 Intermediate Similarity NPC123273
0.7812 Intermediate Similarity NPC77492
0.7802 Intermediate Similarity NPC307235
0.7802 Intermediate Similarity NPC407
0.7802 Intermediate Similarity NPC23167
0.7791 Intermediate Similarity NPC469894
0.7789 Intermediate Similarity NPC8392
0.7789 Intermediate Similarity NPC313650
0.7778 Intermediate Similarity NPC323810
0.7767 Intermediate Similarity NPC111108
0.7767 Intermediate Similarity NPC471188
0.7766 Intermediate Similarity NPC306884
0.7766 Intermediate Similarity NPC162314
0.7766 Intermediate Similarity NPC94139
0.7766 Intermediate Similarity NPC3358
0.7766 Intermediate Similarity NPC210497
0.7766 Intermediate Similarity NPC147284
0.7755 Intermediate Similarity NPC252105
0.7753 Intermediate Similarity NPC95429
0.7742 Intermediate Similarity NPC192
0.7742 Intermediate Similarity NPC312304
0.7732 Intermediate Similarity NPC217621
0.7732 Intermediate Similarity NPC128723
0.7717 Intermediate Similarity NPC25493
0.7717 Intermediate Similarity NPC104216
0.7717 Intermediate Similarity NPC113460
0.7701 Intermediate Similarity NPC164449
0.7701 Intermediate Similarity NPC184030
0.7692 Intermediate Similarity NPC197783
0.7692 Intermediate Similarity NPC198747
0.7692 Intermediate Similarity NPC228452
0.7692 Intermediate Similarity NPC155393
0.7684 Intermediate Similarity NPC289769
0.7684 Intermediate Similarity NPC245187
0.7684 Intermediate Similarity NPC20142
0.7684 Intermediate Similarity NPC215351
0.767 Intermediate Similarity NPC132720
0.766 Intermediate Similarity NPC265521
0.7653 Intermediate Similarity NPC294741
0.7634 Intermediate Similarity NPC274455
0.7634 Intermediate Similarity NPC86670
0.7634 Intermediate Similarity NPC70940
0.7634 Intermediate Similarity NPC177420
0.7634 Intermediate Similarity NPC280347
0.7629 Intermediate Similarity NPC290515
0.7629 Intermediate Similarity NPC164514
0.7629 Intermediate Similarity NPC226096
0.7629 Intermediate Similarity NPC108606
0.7629 Intermediate Similarity NPC225464
0.7629 Intermediate Similarity NPC303611
0.7614 Intermediate Similarity NPC165212
0.7604 Intermediate Similarity NPC222146
0.76 Intermediate Similarity NPC238696
0.7582 Intermediate Similarity NPC248817
0.7582 Intermediate Similarity NPC286904
0.7582 Intermediate Similarity NPC175313
0.7582 Intermediate Similarity NPC150837
0.7579 Intermediate Similarity NPC271440
0.7576 Intermediate Similarity NPC25458
0.7553 Intermediate Similarity NPC47950
0.7553 Intermediate Similarity NPC300478
0.7553 Intermediate Similarity NPC55561
0.7551 Intermediate Similarity NPC122005
0.7551 Intermediate Similarity NPC132078
0.7551 Intermediate Similarity NPC92730
0.7551 Intermediate Similarity NPC252821
0.7551 Intermediate Similarity NPC78119
0.7551 Intermediate Similarity NPC216468
0.7551 Intermediate Similarity NPC51333
0.7528 Intermediate Similarity NPC121478
0.7528 Intermediate Similarity NPC73637
0.7527 Intermediate Similarity NPC19680
0.7526 Intermediate Similarity NPC216520
0.7526 Intermediate Similarity NPC132271
0.7526 Intermediate Similarity NPC253423
0.7526 Intermediate Similarity NPC82664
0.7526 Intermediate Similarity NPC324602
0.7526 Intermediate Similarity NPC292730
0.7526 Intermediate Similarity NPC473388
0.7525 Intermediate Similarity NPC117115
0.7525 Intermediate Similarity NPC471350
0.7525 Intermediate Similarity NPC105899
0.7525 Intermediate Similarity NPC47284
0.7524 Intermediate Similarity NPC302371
0.75 Intermediate Similarity NPC322387
0.75 Intermediate Similarity NPC76938
0.7476 Intermediate Similarity NPC64586
0.7475 Intermediate Similarity NPC245927
0.7475 Intermediate Similarity NPC214200
0.7475 Intermediate Similarity NPC228400
0.7475 Intermediate Similarity NPC130103
0.7475 Intermediate Similarity NPC225506
0.7475 Intermediate Similarity NPC213730
0.7474 Intermediate Similarity NPC45040
0.7474 Intermediate Similarity NPC204210
0.7473 Intermediate Similarity NPC124436
0.7473 Intermediate Similarity NPC265146
0.7473 Intermediate Similarity NPC58616
0.7453 Intermediate Similarity NPC319803
0.7451 Intermediate Similarity NPC21594
0.7451 Intermediate Similarity NPC310456
0.7451 Intermediate Similarity NPC53740
0.7449 Intermediate Similarity NPC175852
0.7449 Intermediate Similarity NPC160548
0.7449 Intermediate Similarity NPC317280
0.7449 Intermediate Similarity NPC210529
0.7449 Intermediate Similarity NPC329387
0.7447 Intermediate Similarity NPC70436
0.7444 Intermediate Similarity NPC146703
0.7426 Intermediate Similarity NPC272029
0.7426 Intermediate Similarity NPC472221
0.7426 Intermediate Similarity NPC472222
0.7426 Intermediate Similarity NPC56168
0.7426 Intermediate Similarity NPC475580
0.7423 Intermediate Similarity NPC274678
0.7423 Intermediate Similarity NPC32714
0.7423 Intermediate Similarity NPC144682
0.7423 Intermediate Similarity NPC26244
0.7419 Intermediate Similarity NPC304760
0.7419 Intermediate Similarity NPC184169
0.7416 Intermediate Similarity NPC242628
0.7407 Intermediate Similarity NPC212891
0.7407 Intermediate Similarity NPC92

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC93843 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
0.8875 High Similarity NPD9294 Approved
0.8421 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.828 Intermediate Similarity NPD288 Approved
0.7979 Intermediate Similarity NPD844 Approved
0.7957 Intermediate Similarity NPD845 Approved
0.7872 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7835 Intermediate Similarity NPD1616 Discontinued
0.7802 Intermediate Similarity NPD1101 Approved
0.7732 Intermediate Similarity NPD3020 Approved
0.7634 Intermediate Similarity NPD1089 Approved
0.7634 Intermediate Similarity NPD1090 Approved
0.7634 Intermediate Similarity NPD1086 Approved
0.7629 Intermediate Similarity NPD9609 Approved
0.7629 Intermediate Similarity NPD9612 Approved
0.7629 Intermediate Similarity NPD9611 Approved
0.7527 Intermediate Similarity NPD800 Approved
0.75 Intermediate Similarity NPD4814 Discontinued
0.7475 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD1088 Approved
0.7473 Intermediate Similarity NPD111 Approved
0.7449 Intermediate Similarity NPD9495 Approved
0.7423 Intermediate Similarity NPD2859 Approved
0.7423 Intermediate Similarity NPD1809 Phase 2
0.7423 Intermediate Similarity NPD2860 Approved
0.7419 Intermediate Similarity NPD531 Approved
0.7416 Intermediate Similarity NPD9250 Approved
0.74 Intermediate Similarity NPD854 Approved
0.74 Intermediate Similarity NPD855 Approved
0.74 Intermediate Similarity NPD4818 Approved
0.74 Intermediate Similarity NPD4817 Approved
0.7396 Intermediate Similarity NPD1409 Phase 3
0.7396 Intermediate Similarity NPD3718 Approved
0.7396 Intermediate Similarity NPD3719 Approved
0.732 Intermediate Similarity NPD2933 Approved
0.732 Intermediate Similarity NPD1693 Approved
0.732 Intermediate Similarity NPD2934 Approved
0.7312 Intermediate Similarity NPD1087 Approved
0.7292 Intermediate Similarity NPD9251 Approved
0.7292 Intermediate Similarity NPD159 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD4869 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD1444 Approved
0.7282 Intermediate Similarity NPD1445 Approved
0.7255 Intermediate Similarity NPD314 Approved
0.7255 Intermediate Similarity NPD309 Approved
0.7255 Intermediate Similarity NPD310 Approved
0.7255 Intermediate Similarity NPD315 Approved
0.7255 Intermediate Similarity NPD1237 Approved
0.7255 Intermediate Similarity NPD311 Approved
0.7255 Intermediate Similarity NPD10 Approved
0.7238 Intermediate Similarity NPD4750 Phase 3
0.7212 Intermediate Similarity NPD2342 Discontinued
0.7212 Intermediate Similarity NPD4095 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD7635 Approved
0.7188 Intermediate Similarity NPD530 Approved
0.7188 Intermediate Similarity NPD1239 Approved
0.7172 Intermediate Similarity NPD1565 Approved
0.7172 Intermediate Similarity NPD1566 Phase 3
0.7172 Intermediate Similarity NPD1564 Approved
0.7157 Intermediate Similarity NPD3682 Approved
0.7157 Intermediate Similarity NPD3680 Approved
0.7157 Intermediate Similarity NPD3681 Approved
0.7157 Intermediate Similarity NPD4231 Approved
0.7157 Intermediate Similarity NPD4229 Approved
0.7157 Intermediate Similarity NPD3683 Approved
0.7143 Intermediate Similarity NPD7725 Approved
0.7117 Intermediate Similarity NPD3091 Approved
0.7117 Intermediate Similarity NPD2227 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD179 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD3022 Approved
0.7075 Intermediate Similarity NPD1792 Phase 2
0.7075 Intermediate Similarity NPD3021 Approved
0.7065 Intermediate Similarity NPD9491 Approved
0.7064 Intermediate Similarity NPD2629 Approved
0.7059 Intermediate Similarity NPD940 Approved
0.7059 Intermediate Similarity NPD846 Approved
0.7054 Intermediate Similarity NPD1710 Approved
0.7033 Intermediate Similarity NPD226 Approved
0.703 Intermediate Similarity NPD2066 Phase 3
0.7009 Intermediate Similarity NPD4025 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4198 Discontinued
0.699 Remote Similarity NPD5738 Clinical (unspecified phase)
0.699 Remote Similarity NPD6647 Phase 2
0.699 Remote Similarity NPD4658 Approved
0.699 Remote Similarity NPD4656 Approved
0.6981 Remote Similarity NPD4718 Approved
0.6981 Remote Similarity NPD4720 Approved
0.6981 Remote Similarity NPD4717 Approved
0.6964 Remote Similarity NPD7741 Discontinued
0.6939 Remote Similarity NPD752 Approved
0.6909 Remote Similarity NPD5951 Approved
0.6907 Remote Similarity NPD9256 Approved
0.6907 Remote Similarity NPD9258 Approved
0.69 Remote Similarity NPD1989 Approved
0.6893 Remote Similarity NPD4719 Phase 2
0.6887 Remote Similarity NPD9532 Phase 3
0.6887 Remote Similarity NPD6406 Approved
0.687 Remote Similarity NPD3092 Approved
0.6869 Remote Similarity NPD719 Approved
0.6869 Remote Similarity NPD720 Approved
0.6869 Remote Similarity NPD1563 Approved
0.6852 Remote Similarity NPD4254 Approved
0.6852 Remote Similarity NPD4253 Approved
0.6842 Remote Similarity NPD5125 Phase 3
0.6842 Remote Similarity NPD5126 Approved
0.6842 Remote Similarity NPD3095 Discontinued
0.6822 Remote Similarity NPD2684 Approved
0.6818 Remote Similarity NPD2228 Approved
0.6818 Remote Similarity NPD2229 Approved
0.6818 Remote Similarity NPD2234 Approved
0.6804 Remote Similarity NPD9249 Phase 1
0.6804 Remote Similarity NPD5346 Phase 2
0.6804 Remote Similarity NPD5347 Phase 2
0.68 Remote Similarity NPD688 Clinical (unspecified phase)
0.6796 Remote Similarity NPD2558 Approved
0.6796 Remote Similarity NPD2550 Approved
0.6796 Remote Similarity NPD2555 Approved
0.6796 Remote Similarity NPD2549 Approved
0.6796 Remote Similarity NPD2552 Approved
0.6796 Remote Similarity NPD2553 Approved
0.6789 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6775 Clinical (unspecified phase)
0.6771 Remote Similarity NPD9538 Approved
0.6762 Remote Similarity NPD9608 Approved
0.6762 Remote Similarity NPD3048 Approved
0.6762 Remote Similarity NPD3047 Approved
0.6762 Remote Similarity NPD3046 Approved
0.6762 Remote Similarity NPD9610 Approved
0.6759 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6757 Remote Similarity NPD9614 Approved
0.6757 Remote Similarity NPD9618 Approved
0.6742 Remote Similarity NPD9716 Approved
0.6737 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6735 Remote Similarity NPD3673 Approved
0.6735 Remote Similarity NPD3672 Approved
0.6731 Remote Similarity NPD4188 Approved
0.6731 Remote Similarity NPD4189 Approved
0.6729 Remote Similarity NPD290 Approved
0.6724 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6724 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6703 Remote Similarity NPD225 Approved
0.6703 Remote Similarity NPD227 Approved
0.6702 Remote Similarity NPD3971 Phase 1
0.67 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6699 Remote Similarity NPD9712 Approved
0.6697 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6696 Remote Similarity NPD7157 Approved
0.6667 Remote Similarity NPD1930 Approved
0.6667 Remote Similarity NPD1929 Approved
0.6667 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5765 Approved
0.6667 Remote Similarity NPD9500 Approved
0.6667 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6639 Remote Similarity NPD3094 Phase 2
0.6636 Remote Similarity NPD6685 Approved
0.6636 Remote Similarity NPD2499 Approved
0.6636 Remote Similarity NPD2500 Approved
0.6636 Remote Similarity NPD228 Approved
0.6636 Remote Similarity NPD968 Approved
0.6635 Remote Similarity NPD1242 Phase 1
0.6634 Remote Similarity NPD6049 Phase 2
0.6634 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6634 Remote Similarity NPD3772 Phase 3
0.6633 Remote Similarity NPD689 Discontinued
0.663 Remote Similarity NPD9490 Approved
0.6629 Remote Similarity NPD9087 Approved
0.6607 Remote Similarity NPD1791 Approved
0.6607 Remote Similarity NPD475 Phase 2
0.6607 Remote Similarity NPD1793 Approved
0.6602 Remote Similarity NPD9711 Approved
0.6602 Remote Similarity NPD9710 Approved
0.6598 Remote Similarity NPD4793 Discontinued
0.6583 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6581 Remote Similarity NPD804 Clinical (unspecified phase)
0.6579 Remote Similarity NPD9613 Approved
0.6579 Remote Similarity NPD9616 Approved
0.6579 Remote Similarity NPD9615 Approved
0.6577 Remote Similarity NPD7843 Approved
0.6552 Remote Similarity NPD1751 Approved
0.6552 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6552 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6552 Remote Similarity NPD5306 Approved
0.6552 Remote Similarity NPD5305 Approved
0.6552 Remote Similarity NPD4059 Approved
0.6552 Remote Similarity NPD3019 Approved
0.6552 Remote Similarity NPD2932 Approved
0.6552 Remote Similarity NPD4626 Approved
0.6548 Remote Similarity NPD675 Discontinued
0.6542 Remote Similarity NPD5048 Discontinued
0.6535 Remote Similarity NPD1066 Discontinued
0.6522 Remote Similarity NPD316 Approved
0.6509 Remote Similarity NPD1415 Approved
0.6505 Remote Similarity NPD1875 Phase 1
0.6495 Remote Similarity NPD9257 Approved
0.6495 Remote Similarity NPD9259 Approved
0.6491 Remote Similarity NPD694 Clinical (unspecified phase)
0.6491 Remote Similarity NPD3123 Discovery
0.6491 Remote Similarity NPD4230 Clinical (unspecified phase)
0.6486 Remote Similarity NPD9508 Approved

Structure

External Identifiers

PubChem CID   325
ChEMBL   CHEMBL3183500
ZINC  

Physicochemical Properties

Molecular Weight:  150.10
ALogP:  0.1242
MLogP:  2.45
XLogP:  3.809
# Rotatable Bonds:  5
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  11

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Biological Activities  
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