Natural Product: NPC166894

Natural Product ID:  NPC166894
Common Name:   (1S,3R,4S)-4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-Ol
IUPAC Name:   (1S,3R,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
Synonyms:  
Molecular Formula:   C10H18O
Standard InCHIKey:  DTGKSKDOIYIVQL-QXFUBDJGSA-N
Standard InCHI:  InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
Canonical SMILES:  O[C@@H]1C[C@H]2C([C@]1(C)CC2)(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
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO11169 Piper cubeba Species Piperaceae Eukaryota TM-MC*
NPO25870 Vaccinium vitis-idaea Species Ericaceae Eukaryota UNPD*
NPO28171 Anacyclus pyrethrum Species Asteraceae Eukaryota UNPD*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO2924 Pinus excelsa Species Pinaceae Eukaryota UNPD*
NPO2496 Echinops pappii Species Asteraceae Eukaryota UNPD*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO28065 Pentachondra pumila Species Ericaceae Eukaryota UNPD*
NPO18465 Cryptocarya triplinervis Species Lauraceae Eukaryota UNPD*
NPO28895 Pinus monticola Species Pinaceae Eukaryota UNPD*
NPO28877 Scutellaria baicalensis Species Lamiaceae Eukaryota UNPD*
NPO28326 Uncaria longiflora Species Rubiaceae Eukaryota UNPD*
NPO11638 Cinnanmomi cortex NA NA NA TCMSP*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota TM-MC*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TM-MC*
NPO26134 Epimedium davidii Species Berberidaceae Eukaryota UNPD*
NPO26654 Penicillium citreonigrum Species Aspergillaceae Eukaryota UNPD*
NPO17043 Lycopodium casuarinoides Species Lycopodiaceae Eukaryota UNPD*
NPO8971 Ammocharis coranica Species Amaryllidaceae Eukaryota UNPD*
NPO29694 Mori cortex NA NA NA TCMSP*
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota TM-MC*
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota TM-MC*
NPO26834 Eutypella scoparia Species Diatrypaceae Eukaryota UNPD*
NPO7869 Peritassa campestris Species Celastraceae Eukaryota UNPD*
NPO195 Maprounea guianensis Species Euphorbiaceae Eukaryota UNPD*
NPO26319 Solanum acaule Species Solanaceae Eukaryota UNPD*
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota TM-MC*
NPO5934 Sophora prostrata Species Fabaceae Eukaryota UNPD*
NPO26161 Globba malaccensis Species Zingiberaceae Eukaryota UNPD*
NPO28266 Phlomis ostrowskiana Species Lamiaceae Eukaryota UNPD*
NPO28830 Acronychia haplophylla Species Rutaceae Eukaryota UNPD*
NPO12028 Acori tataninowii rhizoma NA NA NA TCMSP*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota TM-MC*
NPO29016 Valeriana jatamansi Species Caprifoliaceae Eukaryota TM-MC*
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota UNPD*
NPO28701 Salvia lanigera Species Lamiaceae Eukaryota UNPD*
NPO10352 Genista monosperma Species Fabaceae Eukaryota UNPD*
NPO26681 Siphonaria lessonii Species Siphonariidae Eukaryota UNPD*
NPO29584 Forsythiae fructus NA NA NA TCMSP*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO26349 Frullania tamarisci Species Frullaniaceae Eukaryota UNPD*
NPO26900 Vallota purpurea NA NA NA UNPD*
NPO3122 Babylonia lutosa Species Buccinidae Eukaryota UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO19264 Macleaya cordata Species Papaveraceae Eukaryota UNPD*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO16271 Thelesperma megapotamicum Species Asteraceae Eukaryota UNPD*
NPO2898 Quercus sessiliflora Species Fagaceae Eukaryota UNPD*
NPO28578 Uperoleia inundata Species Myobatrachidae Eukaryota UNPD*
NPO24105 Artemisia iwayomogi Species Asteraceae Eukaryota TM-MC*
NPO8455 Magnolia officinalis rehd et wils Species Magnoliaceae Eukaryota TCMSP*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO26374 Alangium premnifolium Species Cornaceae Eukaryota UNPD*
NPO27927 Alligator sinensis Species Alligatoridae Eukaryota UNPD*
NPO12942 Amphimedon terpenensis Species Niphatidae Eukaryota UNPD*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO29654 Lonicerae japonicae flos NA NA NA TCMSP*
NPO22848 Kaempferia galanga Species Zingiberaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO24010 Buglossoides arvensis Species Boraginaceae Eukaryota UNPD*
NPO14375 Casearia guianensis Species Salicaceae Eukaryota UNPD*
NPO8457 Fagus cunninghamii Species Fagaceae Eukaryota UNPD*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO26439 Folium artemisiae argyi NA NA NA TCMSP*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TM-MC*
NPO16067.1 Pseudotsuga sinensis var. wilsoniana Varieties Pinaceae Eukaryota UNPD*
NPO488 Chrysanthemum atratum Species Asteraceae Eukaryota UNPD*
NPO28489 Euphrasia regelii Species Orobanchaceae Eukaryota UNPD*
NPO28112 Amauris niavius Species Nymphalidae Eukaryota UNPD*
NPO12468 Asarum heterotropoides Species Aristolochiaceae Eukaryota TM-MC*
NPO29538 Curcumae radix NA NA NA TCMSP*
NPO4682 Lindera aggregata Species Lauraceae Eukaryota TM-MC*
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota TCMID*
NPO7367 Sarcophyton acutangulum Species Orchidaceae Eukaryota UNPD*
NPO7969 Peribatodes rhomboidaria Species Geometridae Eukaryota UNPD*
NPO14955 Hymenocallis concinna Species Amaryllidaceae Eukaryota UNPD*
NPO28280 Cetraria komarovii Species Parmeliaceae Eukaryota UNPD*
NPO17534 Uvaria chamae Species Annonaceae Eukaryota UNPD*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota TM-MC*
NPO29614 Polygonati odorati rhizoma NA NA NA TCMSP*
NPO13346 Lindera strichnifolia Species Tineidae Eukaryota TM-MC*
NPO5681 Acorus gramineus Species Acoraceae Eukaryota TCMID*
NPO28501 Hortonia angustifolia Species Monimiaceae Eukaryota UNPD*
NPO28778 Eucalyptus viminalis Species Myrtaceae Eukaryota UNPD*
NPO27880 Mimusops laurifolia Species Sapotaceae Eukaryota UNPD*
NPO28145 Dendrodoris limbata Species Dendrodorididae Eukaryota UNPD*
NPO28739 Othonna macrophylla Species Asteraceae Eukaryota UNPD*
NPO4659 Asiasarum heterotropoides NA NA NA TM-MC*
NPO3724 Amomum neoaurantiacum Species Zingiberaceae Eukaryota TCMSP*
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota TM-MC*
NPO2048 Rhizoma curcumae NA NA NA TCMID*
NPO25769 Heterotheca inuloides Species Asteraceae Eukaryota UNPD*
NPO26052 Swertia delavayi Species Gentianaceae Eukaryota UNPD*
NPO26950 Maba buxifolia Species Ebenaceae Eukaryota UNPD*
NPO29078 Asiasarum sieboldii NA NA NA TM-MC*
NPO29559 Cinnamomi ramulus NA NA NA TCMSP*
NPO29110 Litsea cubeba Species Lauraceae Eukaryota TM-MC*
NPO25739 Erysimum odoratum Species Brassicaceae Eukaryota UNPD*
NPO24144 Ophiomastix mixta Species Ophiocomidae Eukaryota UNPD*
NPO28196 Brachylaena perrieri Species Asteraceae Eukaryota UNPD*
NPO17516 Sophora macrocarpa Species Fabaceae Eukaryota UNPD*
NPO20554 Astragalus complanatus Species Fabaceae Eukaryota TM-MC*
NPO1753 Schisandrae chinensis fructus NA NA NA TCMSP*
NPO11791 Magnolia obovata Species Magnoliaceae Eukaryota TM-MC*
NPO26806 Nidula candida Species Nidulariaceae Eukaryota UNPD*
NPO8086 Lepechinia caulescens Species Lamiaceae Eukaryota UNPD*
NPO28464 Mentha sylvestris Species Lamiaceae Eukaryota UNPD*
NPO8344 Wedelia rugosa Species Asteraceae Eukaryota UNPD*
NPO18199 Thermotoga maritima Species Thermotogaceae Bacteria UNPD*
NPO5681 Acorus gramineus Species Acoraceae Eukaryota TM-MC*
NPO4368 Magnolia officinalis Species Magnoliaceae Eukaryota TM-MC*
NPO18952 Sambucus nigra Species Adoxaceae Eukaryota UNPD*
NPO12119 Salpianthus arenarius Species Nyctaginaceae Eukaryota UNPD*
NPO28842 Oscillatoria raoi Species Oscillatoriaceae Bacteria UNPD*
NPO14130 Phagnalon rupestre Species Asteraceae Eukaryota UNPD*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota TM-MC*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO25923 Vismia jefensis Species Hypericaceae Eukaryota UNPD*
NPO28545 Scymnorhinus lichia NA NA NA UNPD*
NPO26287 Spodoptera eridania Species Noctuidae Eukaryota UNPD*
NPO5510 Lepidium draba Species Brassicaceae Eukaryota UNPD*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota TM-MC*
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota TM-MC*
NPO8513 Pseudomonas fluorescens Species Pseudomonadaceae Bacteria UNPD*
NPO19654 Hydnocarpus venenata Species Achariaceae Eukaryota UNPD*
NPO26451 Ophiocoma scolopendrina Species Ophiocomidae Eukaryota UNPD*
NPO28688 Aster tataricus Species Asteraceae Eukaryota UNPD*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TM-MC*
NPO18691 Mycale cecilia Species Mycalidae Eukaryota UNPD*
NPO16185 Astilbe odontophylla Species Saxifragaceae Eukaryota UNPD*
NPO26406 Saussurea carthamoides Species Asteraceae Eukaryota UNPD*
NPO28213 Humicola grisea Species Chaetomiaceae Eukaryota UNPD*
NPO26927 Salacia madagascariensis Species Celastraceae Eukaryota UNPD*
NPO12304 Ascocoryne sarcoides Species Helotiaceae Eukaryota UNPD*
NPO17295 Chrysanthemum zawadskii Species Asteraceae Eukaryota TM-MC*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO15479 Oldenlandia diffusa Species Rubiaceae Eukaryota TM-MC*
NPO25949 Streptomyces griseovariabilis Species Streptomycetaceae Bacteria UNPD*
NPO28855 Salix petiolaris Species Salicaceae Eukaryota UNPD*
NPO25972 Eupolyphaga sinensis Species Corydiidae Eukaryota UNPD*
NPO13849 Spongia fistularis Species Spongiidae Eukaryota UNPD*
NPO4205 Acer mandshuricum Species Sapindaceae Eukaryota UNPD*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO1479 Amomum longiligulare Species Zingiberaceae Eukaryota TM-MC*
NPO2953 Ostericum grosseserratum Species Apiaceae Eukaryota TM-MC*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO28559 Julbernardia globifera Species Fabaceae Eukaryota UNPD*
NPO25995 Laurencia distichophylla Species Rhodomelaceae Eukaryota UNPD*
NPO19304 Goniothalamus montanus Species Annonaceae Eukaryota UNPD*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO11820 Amomum villosum Species Zingiberaceae Eukaryota TM-MC*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO15849 Cochliobolus setariae Species Pleosporaceae Eukaryota UNPD*
NPO1325 Bonnemaisonia asparagoides Species Bonnemaisoniaceae Eukaryota UNPD*
NPO21316.1 Barbarea vulgaris subsp. arcuata Subspecies Brassicaceae Eukaryota UNPD*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota UNPD*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO1631 Amomum xanthioides Species Zingiberaceae Eukaryota TM-MC*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota TM-MC*
NPO27988 Salvia pisidica Species Lamiaceae Eukaryota UNPD*
NPO26023 Angelica tarokoensis Species Apiaceae Eukaryota UNPD*
NPO21547 Crinum giganteum Species Amaryllidaceae Eukaryota UNPD*
NPO28233 Diplotropis ferruginea Species Fabaceae Eukaryota UNPD*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota TM-MC*
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota TM-MC*
NPO28641 Tubocapsicum anomalum Species Solanaceae Eukaryota UNPD*
NPO28765 Miliusa balansae Species Annonaceae Eukaryota UNPD*
NPO25894 Diploknema butyracea Species Sapotaceae Eukaryota UNPD*
NPO28932 Myrrhis odorata Species Apiaceae Eukaryota UNPD*
NPO9546 Cinamomum cassia NA NA NA TM-MC*
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO26607 Colobocentrotus atratus Species Echinidae Eukaryota UNPD*
NPO26584 Gnidia lamprantha Species Thymelaeaceae Eukaryota UNPD*
NPO26184 Diphasia angolensis Species Rutaceae Eukaryota UNPD*
NPO4393 Salix cinerea Species Salicaceae Eukaryota UNPD*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TM-MC*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TM-MC*
NPO15102 Senegalia tenuifolia Species Fabaceae Eukaryota UNPD*
NPO26624 Ilex amara Species Aquifoliaceae Eukaryota UNPD*
NPO28623 Phlox decussata Species Polemoniaceae Eukaryota UNPD*
NPO26561 Micromeria pineolens Species Lamiaceae Eukaryota UNPD*
NPO15730 Citrus medica Species Rutaceae Eukaryota TM-MC*
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota TM-MC*
NPO25896 Bragantia wallichii NA NA NA UNPD*
NPO25420 Pseudopithomyces maydicus Species Didymosphaeriaceae Eukaryota UNPD*
NPO28127 Ursinia speciosa Species Asteraceae Eukaryota UNPD*
NPO27968 Phoma linga Species Didymellaceae Eukaryota UNPD*
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota UNPD*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[20809147]
NPO7447 Nemalion vermiculare Species Liagoraceae Eukaryota UNPD*
NPO28414 Medicosma fareana Species Rutaceae Eukaryota UNPD*
NPO28669 Cuscuta australis Species Convolvulaceae Eukaryota UNPD*
NPO25792 Delphinium andersoni Species Ranunculaceae Eukaryota UNPD*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO26211 Knightia excelsa Species Proteaceae Eukaryota UNPD*
NPO23092 Ammodendron karelinii Species Fabaceae Eukaryota UNPD*
NPO28384 Ascotricha chartarum Species Xylariaceae Eukaryota UNPD*
NPO28337 Pimpinella peregrina Species Apiaceae Eukaryota UNPD*
NPO26699 Leonurus glaucescens Species Lamiaceae Eukaryota UNPD*
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO16427 Porella cordaeana Species Porellaceae Eukaryota UNPD*
NPO26507 Galenia africana Species Aizoaceae Eukaryota UNPD*
NPO5453.1 Euphorbia officinarum subsp. echinus Subspecies Euphorbiaceae Eukaryota UNPD*
NPO28435 Solanum crinitum Species Solanaceae Eukaryota UNPD*
NPO17288 Piliostigma thonningii Species Fabaceae Eukaryota UNPD*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 952.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1737.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 95.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19.5 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 NPC166894 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 NPC277917
1.0 High Similarity NPC178223
1.0 High Similarity NPC283655
1.0 High Similarity NPC89069
0.9623 High Similarity NPC150713
0.9623 High Similarity NPC29976
0.7966 Intermediate Similarity NPC87828
0.7966 Intermediate Similarity NPC9880
0.7966 Intermediate Similarity NPC230070
0.7931 Intermediate Similarity NPC291147
0.7869 Intermediate Similarity NPC236099
0.7869 Intermediate Similarity NPC249078
0.7869 Intermediate Similarity NPC209686
0.7833 Intermediate Similarity NPC66145
0.7759 Intermediate Similarity NPC3025
0.7736 Intermediate Similarity NPC287550
0.7736 Intermediate Similarity NPC84030
0.7736 Intermediate Similarity NPC147343
0.7736 Intermediate Similarity NPC198540
0.7736 Intermediate Similarity NPC176309
0.7736 Intermediate Similarity NPC223468
0.7719 Intermediate Similarity NPC202146
0.7719 Intermediate Similarity NPC32222
0.7705 Intermediate Similarity NPC185547
0.7705 Intermediate Similarity NPC95804
0.7705 Intermediate Similarity NPC83088
0.7667 Intermediate Similarity NPC475968
0.7612 Intermediate Similarity NPC14352
0.7612 Intermediate Similarity NPC234527
0.7538 Intermediate Similarity NPC474756
0.75 Intermediate Similarity NPC44122
0.746 Intermediate Similarity NPC167995
0.746 Intermediate Similarity NPC118937
0.746 Intermediate Similarity NPC159654
0.746 Intermediate Similarity NPC281540
0.7424 Intermediate Similarity NPC477820
0.7419 Intermediate Similarity NPC148174
0.7419 Intermediate Similarity NPC218585
0.7419 Intermediate Similarity NPC71460
0.7414 Intermediate Similarity NPC53209
0.7391 Intermediate Similarity NPC139765
0.7391 Intermediate Similarity NPC131584
0.7391 Intermediate Similarity NPC313185
0.7385 Intermediate Similarity NPC308522
0.7385 Intermediate Similarity NPC74885
0.7385 Intermediate Similarity NPC63190
0.7344 Intermediate Similarity NPC474380
0.7344 Intermediate Similarity NPC41577
0.7344 Intermediate Similarity NPC473276
0.7333 Intermediate Similarity NPC119425
0.7313 Intermediate Similarity NPC232925
0.7313 Intermediate Similarity NPC251201
0.7313 Intermediate Similarity NPC63588
0.7302 Intermediate Similarity NPC114891
0.7231 Intermediate Similarity NPC142712
0.7193 Intermediate Similarity NPC307022
0.7188 Intermediate Similarity NPC219940
0.7188 Intermediate Similarity NPC69149
0.7143 Intermediate Similarity NPC147524
0.7143 Intermediate Similarity NPC127997
0.7143 Intermediate Similarity NPC95969
0.7121 Intermediate Similarity NPC473230
0.7121 Intermediate Similarity NPC475884
0.7121 Intermediate Similarity NPC48079
0.7101 Intermediate Similarity NPC153719
0.7101 Intermediate Similarity NPC470610
0.7077 Intermediate Similarity NPC300442
0.7077 Intermediate Similarity NPC238352
0.7077 Intermediate Similarity NPC477009
0.7077 Intermediate Similarity NPC165069
0.7077 Intermediate Similarity NPC190827
0.7077 Intermediate Similarity NPC475943
0.7077 Intermediate Similarity NPC243469
0.7059 Intermediate Similarity NPC254845
0.7059 Intermediate Similarity NPC133873
0.7015 Intermediate Similarity NPC472741
0.7 Intermediate Similarity NPC309178
0.7 Intermediate Similarity NPC48795
0.7 Intermediate Similarity NPC477508
0.7 Intermediate Similarity NPC471269
0.7 Intermediate Similarity NPC304499
0.7 Intermediate Similarity NPC45387
0.7 Intermediate Similarity NPC475458
0.6986 Remote Similarity NPC329871
0.6986 Remote Similarity NPC269333
0.6935 Remote Similarity NPC476735
0.6912 Remote Similarity NPC66407
0.6912 Remote Similarity NPC470830
0.6912 Remote Similarity NPC254037
0.6912 Remote Similarity NPC299948
0.6912 Remote Similarity NPC107919
0.6912 Remote Similarity NPC129829
0.6912 Remote Similarity NPC241085
0.6901 Remote Similarity NPC317242
0.6892 Remote Similarity NPC66766
0.6892 Remote Similarity NPC117137
0.6875 Remote Similarity NPC15152
0.6852 Remote Similarity NPC144891
0.6825 Remote Similarity NPC95958
0.6818 Remote Similarity NPC472946
0.6812 Remote Similarity NPC94632
0.6812 Remote Similarity NPC168596
0.6812 Remote Similarity NPC231945
0.6812 Remote Similarity NPC282454
0.6812 Remote Similarity NPC192192
0.6806 Remote Similarity NPC470145
0.6806 Remote Similarity NPC163597
0.6774 Remote Similarity NPC135438
0.6774 Remote Similarity NPC236588
0.6714 Remote Similarity NPC195530
0.6714 Remote Similarity NPC157422
0.6714 Remote Similarity NPC111234
0.6714 Remote Similarity NPC478103
0.6714 Remote Similarity NPC473279
0.6714 Remote Similarity NPC157777
0.6714 Remote Similarity NPC1340
0.6714 Remote Similarity NPC131506
0.6714 Remote Similarity NPC100586
0.6714 Remote Similarity NPC187471
0.6714 Remote Similarity NPC470071
0.6714 Remote Similarity NPC252182
0.6714 Remote Similarity NPC127094
0.6714 Remote Similarity NPC109457
0.6712 Remote Similarity NPC476233
0.6712 Remote Similarity NPC302578
0.6712 Remote Similarity NPC185915
0.6712 Remote Similarity NPC192046
0.6712 Remote Similarity NPC128951
0.6712 Remote Similarity NPC105208
0.6712 Remote Similarity NPC477227
0.6667 Remote Similarity NPC324607
0.6667 Remote Similarity NPC91387
0.6667 Remote Similarity NPC215671
0.6667 Remote Similarity NPC87296
0.6667 Remote Similarity NPC270306
0.6667 Remote Similarity NPC177022
0.6667 Remote Similarity NPC161473
0.6667 Remote Similarity NPC231680
0.6667 Remote Similarity NPC475515
0.6667 Remote Similarity NPC199937
0.6667 Remote Similarity NPC321732
0.6623 Remote Similarity NPC29342
0.6623 Remote Similarity NPC2572
0.6623 Remote Similarity NPC69953
0.6622 Remote Similarity NPC477817
0.6622 Remote Similarity NPC18857
0.6622 Remote Similarity NPC477819
0.6622 Remote Similarity NPC471045
0.6622 Remote Similarity NPC67657
0.6622 Remote Similarity NPC42853
0.662 Remote Similarity NPC232112
0.662 Remote Similarity NPC310766
0.662 Remote Similarity NPC472341
0.662 Remote Similarity NPC473238
0.662 Remote Similarity NPC201373
0.6618 Remote Similarity NPC477791
0.6575 Remote Similarity NPC310643
0.6575 Remote Similarity NPC472472
0.6571 Remote Similarity NPC45296
0.6562 Remote Similarity NPC184049
0.6562 Remote Similarity NPC99480
0.6538 Remote Similarity NPC242016
0.6533 Remote Similarity NPC49599
0.6533 Remote Similarity NPC1319
0.6533 Remote Similarity NPC49627
0.6533 Remote Similarity NPC287452
0.6528 Remote Similarity NPC25511
0.6528 Remote Similarity NPC196358
0.6528 Remote Similarity NPC10476
0.6528 Remote Similarity NPC192501
0.6528 Remote Similarity NPC192638
0.6528 Remote Similarity NPC145552
0.6528 Remote Similarity NPC5046
0.6528 Remote Similarity NPC228994
0.6528 Remote Similarity NPC254509
0.6528 Remote Similarity NPC49168
0.6528 Remote Similarity NPC62657
0.6528 Remote Similarity NPC478130
0.6515 Remote Similarity NPC290791
0.6515 Remote Similarity NPC292419
0.6494 Remote Similarity NPC475388
0.6494 Remote Similarity NPC296734
0.6494 Remote Similarity NPC470611
0.6486 Remote Similarity NPC171658
0.6486 Remote Similarity NPC474574
0.6486 Remote Similarity NPC64081
0.6486 Remote Similarity NPC133596
0.6486 Remote Similarity NPC11907
0.6486 Remote Similarity NPC260301
0.6486 Remote Similarity NPC307336
0.6486 Remote Similarity NPC138502
0.6479 Remote Similarity NPC156277
0.6479 Remote Similarity NPC58057
0.6479 Remote Similarity NPC320549
0.6479 Remote Similarity NPC89310
0.6479 Remote Similarity NPC164045
0.6479 Remote Similarity NPC8004
0.6479 Remote Similarity NPC127283
0.6479 Remote Similarity NPC151018
0.6471 Remote Similarity NPC162309

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC166894 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
0.7736 Intermediate Similarity NPD385 Approved
0.7736 Intermediate Similarity NPD384 Approved
0.7059 Intermediate Similarity NPD4787 Phase 1
0.6912 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6885 Remote Similarity NPD586 Phase 1
0.6667 Remote Similarity NPD3698 Phase 2
0.6571 Remote Similarity NPD4245 Approved
0.6571 Remote Similarity NPD4244 Approved
0.6567 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6562 Remote Similarity NPD3198 Approved
0.6479 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6479 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6447 Remote Similarity NPD6928 Phase 2
0.6429 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6429 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6351 Remote Similarity NPD6117 Approved
0.6301 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6267 Remote Similarity NPD6116 Phase 1
0.6234 Remote Similarity NPD4748 Discontinued
0.6216 Remote Similarity NPD3703 Phase 2
0.6184 Remote Similarity NPD6114 Approved
0.6184 Remote Similarity NPD6118 Approved
0.6184 Remote Similarity NPD6115 Approved
0.6184 Remote Similarity NPD6697 Approved
0.6133 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6111 Remote Similarity NPD4789 Approved
0.6056 Remote Similarity NPD6705 Phase 1
0.6034 Remote Similarity NPD386 Approved
0.6034 Remote Similarity NPD388 Approved
0.6026 Remote Similarity NPD7525 Registered
0.6 Remote Similarity NPD7339 Approved
0.6 Remote Similarity NPD3702 Approved
0.6 Remote Similarity NPD6942 Approved
0.5942 Remote Similarity NPD371 Approved
0.5932 Remote Similarity NPD343 Approved
0.5932 Remote Similarity NPD344 Approved
0.5932 Remote Similarity NPD345 Approved
0.5867 Remote Similarity NPD6924 Approved
0.5867 Remote Similarity NPD6926 Approved
0.5833 Remote Similarity NPD5360 Phase 3
0.5833 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5811 Remote Similarity NPD4243 Approved
0.5789 Remote Similarity NPD1462 Approved
0.5769 Remote Similarity NPD3671 Phase 1
0.5753 Remote Similarity NPD6923 Approved
0.5753 Remote Similarity NPD6922 Approved
0.5714 Remote Similarity NPD6933 Approved
0.5714 Remote Similarity NPD1460 Approved
0.5676 Remote Similarity NPD7144 Approved
0.5676 Remote Similarity NPD7143 Approved
0.5663 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5658 Remote Similarity NPD4785 Approved
0.5658 Remote Similarity NPD4784 Approved
0.561 Remote Similarity NPD4788 Approved
0.56 Remote Similarity NPD4758 Discontinued
0.56 Remote Similarity NPD7152 Approved
0.56 Remote Similarity NPD7151 Approved
0.56 Remote Similarity NPD7150 Approved
0.56 Remote Similarity NPD5777 Approved

Structure

External Identifiers

PubChem CID   1201518
ChEMBL   CHEMBL3186705
ZINC  

Physicochemical Properties

Molecular Weight:  154.14
ALogP:  0.9432
MLogP:  2.45
XLogP:  2.734
# Rotatable Bonds:  4
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  11

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Similar NPs/Drugs