Natural Product: NPC94045

Natural Product ID:  NPC94045
Common Name:   Pinosylvin Methyl Ether
IUPAC Name:   3-methoxy-5-[(E)-2-phenylethenyl]phenol
Synonyms:  
Molecular Formula:   C15H14O2
Standard InCHIKey:  JVIXPWIEOVZVJC-BQYQJAHWSA-N
Standard InCHI:  InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+
Canonical SMILES:  COc1cc(/C=C/c2ccccc2)cc(c1)O
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
NPO28739 Othonna macrophylla Species Asteraceae Eukaryota UNPD*
NPO28855 Salix petiolaris Species Salicaceae Eukaryota UNPD*
NPO28559 Julbernardia globifera Species Fabaceae Eukaryota UNPD*
NPO28233 Diplotropis ferruginea Species Fabaceae Eukaryota UNPD*
NPO822 Cressa cretica Species Convolvulaceae Eukaryota UNPD*
NPO28688 Aster tataricus Species Asteraceae Eukaryota UNPD*
NPO5365 Tetradenia glauca Species Lamiaceae Eukaryota UNPD*
NPO13888 Austrocylindropuntia cylindrica Species Cactaceae Eukaryota UNPD*
NPO12322 Amomum krervanh Species Zingiberaceae Eukaryota UNPD*
NPO28756 Malayopython reticulatus Species Pythonidae Eukaryota UNPD*
NPO10177 Eria linearifolia Species Orchidaceae Eukaryota UNPD*
NPO28112 Amauris niavius Species Nymphalidae Eukaryota UNPD*
NPO8140 Nauclea parva Species Rubiaceae Eukaryota UNPD*
NPO20391 Podospora decipiens Species Lasiosphaeriaceae Eukaryota UNPD*
NPO28337 Pimpinella peregrina Species Apiaceae Eukaryota UNPD*
NPO28266 Phlomis ostrowskiana Species Lamiaceae Eukaryota UNPD*
NPO23092 Ammodendron karelinii Species Fabaceae Eukaryota UNPD*
NPO10525 Alnus sieboldiana Species Betulaceae Eukaryota HerDing*
NPO1830 Dalbergia sissoo Species Fabaceae Eukaryota HerDing*
NPO28145 Dendrodoris limbata Species Dendrodorididae Eukaryota UNPD*
NPO27988 Salvia pisidica Species Lamiaceae Eukaryota UNPD*
NPO30225 Alnus crispa Species Betulaceae Eukaryota HerDing*
NPO9947 Teucrium scorodonia Species Lamiaceae Eukaryota UNPD*
NPO28701 Salvia lanigera Species Lamiaceae Eukaryota UNPD*
NPO31087 Pinus sp Species Pinaceae Eukaryota HerDing*
NPO9522 Pericopsis angolensis Species Fabaceae Eukaryota UNPD*
NPO21547 Crinum giganteum Species Amaryllidaceae Eukaryota UNPD*
NPO12895 Polypodiodes niponica Species Polypodiaceae Eukaryota UNPD*
NPO28414 Medicosma fareana Species Rutaceae Eukaryota UNPD*
NPO3762 Amentotaxus argotaenia Species Taxaceae Eukaryota UNPD*
NPO28877 Scutellaria baicalensis Species Lamiaceae Eukaryota UNPD*
NPO28065 Pentachondra pumila Species Ericaceae Eukaryota UNPD*
NPO10525 Alnus sieboldiana Species Betulaceae Eukaryota TCMID*
NPO28932 Myrrhis odorata Species Apiaceae Eukaryota UNPD*
NPO11919 Hyrtios reticulatus Species Thorectidae Eukaryota UNPD*
NPO28895 Pinus monticola Species Pinaceae Eukaryota UNPD*
NPO12624 Pinus sp. Species Pinaceae Eukaryota TCMID*
NPO2669 Bowdichia virgilioides Species Fabaceae Eukaryota UNPD*
NPO28501 Hortonia angustifolia Species Monimiaceae Eukaryota UNPD*
NPO28384 Ascotricha chartarum Species Xylariaceae Eukaryota UNPD*
NPO28127 Ursinia speciosa Species Asteraceae Eukaryota UNPD*
NPO1255 Waitzia acuminata Species Asteraceae Eukaryota UNPD*
NPO28778 Eucalyptus viminalis Species Myrtaceae Eukaryota UNPD*
NPO13851 Garberia heterophylla Species Asteraceae Eukaryota UNPD*
NPO28641 Tubocapsicum anomalum Species Solanaceae Eukaryota UNPD*
NPO1830 Dalbergia sissoo Species Fabaceae Eukaryota TCMID*
NPO16944 Schizopelte californica Species Opegraphaceae Eukaryota UNPD*
NPO8962 Cousinia canescens Species Asteraceae Eukaryota UNPD*
NPO28830 Acronychia haplophylla Species Rutaceae Eukaryota UNPD*
NPO2905 Tinospora hainanensis Species Menispermaceae Eukaryota UNPD*
NPO22902.1 Alnus alnobetula subsp. crispa Subspecies Betulaceae Eukaryota TCMID*
NPO28489 Euphrasia regelii Species Orobanchaceae Eukaryota UNPD*
NPO11832 Pinus banksiana Species Pinaceae Eukaryota UNPD*
NPO28623 Phlox decussata Species Polemoniaceae Eukaryota UNPD*
NPO1666 Radopholus similis Species Pratylenchidae Eukaryota UNPD*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota UNPD*
NPO28545 Scymnorhinus lichia NA NA NA UNPD*
NPO28196 Brachylaena perrieri Species Asteraceae Eukaryota UNPD*
NPO1406 Centaurea zuccariniana Species Asteraceae Eukaryota UNPD*
NPO28326 Uncaria longiflora Species Rubiaceae Eukaryota UNPD*
NPO28171 Anacyclus pyrethrum Species Asteraceae Eukaryota UNPD*
NPO12068 Firmiana simplex Species Malvaceae Eukaryota UNPD*
NPO21689 Titanotrichum oldhamii Species Gesneriaceae Eukaryota UNPD*
NPO14130 Phagnalon rupestre Species Asteraceae Eukaryota UNPD*
NPO27880 Mimusops laurifolia Species Sapotaceae Eukaryota UNPD*
NPO28280 Cetraria komarovii Species Parmeliaceae Eukaryota UNPD*
NPO9311 Parkia clappertoniana Species Fabaceae Eukaryota UNPD*
NPO28213 Humicola grisea Species Chaetomiaceae Eukaryota UNPD*
NPO24144 Ophiomastix mixta Species Ophiocomidae Eukaryota UNPD*
NPO6937 Xylaria hypoxylon Species Xylariaceae Eukaryota UNPD*
NPO27968 Phoma linga Species Didymellaceae Eukaryota UNPD*
NPO28578 Uperoleia inundata Species Myobatrachidae Eukaryota UNPD*
NPO4144 Scutia buxifolia Species Rhamnaceae Eukaryota UNPD*
NPO4037 Veronica anagallis Species Plantaginaceae Eukaryota UNPD*
NPO17288 Piliostigma thonningii Species Fabaceae Eukaryota UNPD*
NPO1191 Castanea mollissima Species Fagaceae Eukaryota UNPD*
NPO4844 Acacia simplicifolia Species Fabaceae Eukaryota UNPD*
NPO20173 Aristolochia triangularis Species Aristolochiaceae Eukaryota UNPD*
NPO28669 Cuscuta australis Species Convolvulaceae Eukaryota UNPD*
NPO9051 Delesseria sanguinea Species Delesseriaceae Eukaryota UNPD*
NPO17428 Mimusops manilkara Species Sapotaceae Eukaryota UNPD*
NPO9517 Dictyota ciliolata Species Dictyotaceae Eukaryota UNPD*
NPO18941 Teucrium canadense Species Lamiaceae Eukaryota UNPD*
NPO8443 Uvaria microcarpa Species Annonaceae Eukaryota UNPD*
NPO10588 Diploschistes violarius Species Graphidaceae Eukaryota UNPD*
NPO3102 Arachniodes exilis Species Dryopteridaceae Eukaryota UNPD*
NPO5752 Pholas dactylus Species Pholadidae Eukaryota UNPD*
NPO3463 Wrightia tinctoria Species Apocynaceae Eukaryota UNPD*
NPO5205 Gymnoascus reesii Species Gymnoascaceae Eukaryota UNPD*
NPO28842 Oscillatoria raoi Species Oscillatoriaceae Bacteria UNPD*
NPO24010 Buglossoides arvensis Species Boraginaceae Eukaryota UNPD*
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota UNPD*
NPO27927 Alligator sinensis Species Alligatoridae Eukaryota UNPD*
NPO28464 Mentha sylvestris Species Lamiaceae Eukaryota UNPD*
NPO28765 Miliusa balansae Species Annonaceae Eukaryota UNPD*
NPO28435 Solanum crinitum Species Solanaceae Eukaryota UNPD*
NPO2924 Pinus excelsa Species Pinaceae Eukaryota UNPD*
NPO20915 Hippospongia gossypina Species Spongiidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 10500 nM 15501064
NPT602 Organism Mycobacterium smegmatis Mycobacterium smegmatis MIC = 64 ug/ml 18849164
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC = 16 ug/ml 18849164
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 128 ug/ml 18849164
NPT19 Organism Escherichia coli Escherichia coli MIC > 512 ug/ml 18849164
NPT1827 Organism Mycobacterium bovis Mycobacterium bovis MIC = 26 ug/ml 18849164
NPT1550 Organism Bacillus anthracis Bacillus anthracis MIC = 8 ug/ml 18849164
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 16 ug/ml 18849164
NPT1230 Organism Bacillus megaterium Bacillus megaterium MIC = 64 ug/ml 18849164
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 16 ug/ml 18849164
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC = 8 ug/ml 18849164
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes MIC = 16 ug/ml 18849164
NPT2710 Organism Streptococcus agalactiae Streptococcus agalactiae MIC = 32 ug/ml 18849164
NPT4066 Organism Streptococcus mitis Streptococcus mitis MIC = 64 ug/ml 18849164
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC = 32 ug/ml 18849164
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 16 ug/ml 18849164
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 32 ug/ml 18849164
NPT4067 Organism Corynebacterium pseudodiphtheriticum Corynebacterium pseudodiphtheriticum MIC = 16 ug/ml 18849164
NPT4068 Organism Corynebacterium diphtheriae Corynebacterium diphtheriae MIC = 32 ug/ml 18849164
NPT3987 Organism Corynebacterium xerosis Corynebacterium xerosis MIC = 16 ug/ml 18849164
NPT179 Cell Line A2780 Homo sapiens IC50 = 10 ug/ml 16499333
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 12589.3 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 35481.3 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT45 Individual Protein Ubiquitin carboxyl-terminal hydrolase 2 Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31622.8 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT157 Individual Protein Breast cancer type 1 susceptibility protein Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 3548.1 nM PubChem BioAssay data set
NPT530 Organism Caenorhabditis elegans Caenorhabditis elegans LD50 = 4 ug/ml 12147760
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25929 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT920 Individual Protein Alpha-synuclein Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 456.96 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 91.5 % 23571415
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 112201.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3162.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5011.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3981.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1778.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1412.5 nM PubChem BioAssay data set
NPT472 Individual Protein Vanilloid receptor Homo sapiens IC50 > 10000 nM 26750258
NPT472 Individual Protein Vanilloid receptor Homo sapiens IC50 = 15000 nM 26750258
NPT472 Individual Protein Vanilloid receptor Homo sapiens IC50 = 30000 nM 26750258
NPT472 Individual Protein Vanilloid receptor Homo sapiens IC50 = 23700 nM 26750258
NPT1534 Individual Protein Transient receptor potential cation channel subfamily A member 1 Rattus norvegicus EC50 = 3500 nM 26750258
NPT1534 Individual Protein Transient receptor potential cation channel subfamily A member 1 Rattus norvegicus IC50 = 6900 nM 26750258

  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 NPC94045 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
0.9808 High Similarity NPC280606
0.9712 High Similarity NPC296920
0.9712 High Similarity NPC90520
0.9623 High Similarity NPC228287
0.9623 High Similarity NPC276737
0.9623 High Similarity NPC180508
0.9623 High Similarity NPC22610
0.9608 High Similarity NPC164576
0.9533 High Similarity NPC167934
0.9533 High Similarity NPC53906
0.9524 High Similarity NPC255068
0.9444 High Similarity NPC150624
0.9444 High Similarity NPC141090
0.9444 High Similarity NPC203113
0.9358 High Similarity NPC244816
0.9358 High Similarity NPC15860
0.9358 High Similarity NPC127894
0.9358 High Similarity NPC50521
0.9358 High Similarity NPC195466
0.9358 High Similarity NPC221549
0.9358 High Similarity NPC33270
0.9358 High Similarity NPC69261
0.9358 High Similarity NPC474933
0.9358 High Similarity NPC219070
0.9358 High Similarity NPC470759
0.9352 High Similarity NPC808
0.9327 High Similarity NPC35543
0.9266 High Similarity NPC114064
0.9245 High Similarity NPC168657
0.9238 High Similarity NPC245115
0.9189 High Similarity NPC226629
0.9189 High Similarity NPC184302
0.9151 High Similarity NPC82016
0.9099 High Similarity NPC190514
0.9065 High Similarity NPC303521
0.9065 High Similarity NPC2682
0.9038 High Similarity NPC12987
0.9038 High Similarity NPC474603
0.9027 High Similarity NPC102639
0.9027 High Similarity NPC166759
0.9 High Similarity NPC185541
0.9 High Similarity NPC464
0.8947 High Similarity NPC476633
0.8947 High Similarity NPC75713
0.8938 High Similarity NPC10932
0.8938 High Similarity NPC232084
0.8938 High Similarity NPC61516
0.8938 High Similarity NPC474565
0.8938 High Similarity NPC247364
0.8922 High Similarity NPC291789
0.8919 High Similarity NPC54507
0.8919 High Similarity NPC229147
0.8919 High Similarity NPC85292
0.887 High Similarity NPC71579
0.887 High Similarity NPC77789
0.887 High Similarity NPC473411
0.887 High Similarity NPC262253
0.887 High Similarity NPC18128
0.8839 High Similarity NPC259638
0.8793 High Similarity NPC282496
0.8793 High Similarity NPC84086
0.8793 High Similarity NPC233526
0.8793 High Similarity NPC136319
0.8793 High Similarity NPC95168
0.8761 High Similarity NPC131118
0.875 High Similarity NPC275053
0.875 High Similarity NPC193067
0.875 High Similarity NPC248573
0.875 High Similarity NPC161571
0.8718 High Similarity NPC138248
0.8718 High Similarity NPC206487
0.8718 High Similarity NPC5796
0.8718 High Similarity NPC270030
0.8718 High Similarity NPC228503
0.8707 High Similarity NPC41562
0.8704 High Similarity NPC75440
0.8684 High Similarity NPC85895
0.8684 High Similarity NPC137294
0.8684 High Similarity NPC20674
0.8667 High Similarity NPC143659
0.8667 High Similarity NPC100340
0.8644 High Similarity NPC193544
0.8644 High Similarity NPC475169
0.8644 High Similarity NPC299584
0.8644 High Similarity NPC278955
0.8644 High Similarity NPC105925
0.8644 High Similarity NPC234400
0.8644 High Similarity NPC265483
0.8644 High Similarity NPC17943
0.8644 High Similarity NPC251855
0.8644 High Similarity NPC60885
0.8644 High Similarity NPC116907
0.8644 High Similarity NPC105718
0.8644 High Similarity NPC105031
0.8644 High Similarity NPC233410
0.8644 High Similarity NPC298757
0.8644 High Similarity NPC221077
0.8644 High Similarity NPC57490
0.8644 High Similarity NPC117214
0.8644 High Similarity NPC472093
0.8644 High Similarity NPC208950
0.8644 High Similarity NPC203133
0.8644 High Similarity NPC82483
0.8644 High Similarity NPC113495
0.8632 High Similarity NPC121115
0.8632 High Similarity NPC197757
0.8632 High Similarity NPC228922
0.8627 High Similarity NPC16649
0.8621 High Similarity NPC145780
0.8621 High Similarity NPC212965
0.8609 High Similarity NPC229401
0.8596 High Similarity NPC74821
0.8584 High Similarity NPC123948
0.8571 High Similarity NPC170485
0.8571 High Similarity NPC78974
0.8571 High Similarity NPC223136
0.8571 High Similarity NPC18924
0.8571 High Similarity NPC214406
0.8571 High Similarity NPC103823
0.8571 High Similarity NPC44748
0.8571 High Similarity NPC28730
0.8571 High Similarity NPC223953
0.8559 High Similarity NPC140521
0.8547 High Similarity NPC120638
0.8534 High Similarity NPC218753
0.8529 High Similarity NPC295295
0.8522 High Similarity NPC295259
0.8505 High Similarity NPC30506
0.8505 High Similarity NPC102216
0.8505 High Similarity NPC241891
0.85 High Similarity NPC159968
0.85 High Similarity NPC74817
0.85 High Similarity NPC169474
0.85 High Similarity NPC246620
0.85 High Similarity NPC236760
0.85 High Similarity NPC266555
0.85 High Similarity NPC124452
0.85 High Similarity NPC236791
0.85 High Similarity NPC82679
0.85 High Similarity NPC293054
0.85 High Similarity NPC473221
0.85 High Similarity NPC210355
0.85 High Similarity NPC127587
0.85 High Similarity NPC53781
0.85 High Similarity NPC324112
0.85 High Similarity NPC282000
0.8487 Intermediate Similarity NPC249836
0.8475 Intermediate Similarity NPC474160
0.8468 Intermediate Similarity NPC203924
0.8462 Intermediate Similarity NPC285289
0.8462 Intermediate Similarity NPC193364
0.8455 Intermediate Similarity NPC165386
0.8448 Intermediate Similarity NPC93398
0.8448 Intermediate Similarity NPC258979
0.8448 Intermediate Similarity NPC8283
0.8435 Intermediate Similarity NPC63010
0.843 Intermediate Similarity NPC206615
0.843 Intermediate Similarity NPC186843
0.843 Intermediate Similarity NPC154866
0.843 Intermediate Similarity NPC470213
0.843 Intermediate Similarity NPC266691
0.843 Intermediate Similarity NPC215300
0.843 Intermediate Similarity NPC63179
0.843 Intermediate Similarity NPC98631
0.843 Intermediate Similarity NPC38017
0.8426 Intermediate Similarity NPC292452
0.8426 Intermediate Similarity NPC134829
0.8417 Intermediate Similarity NPC76451
0.8417 Intermediate Similarity NPC82299
0.8411 Intermediate Similarity NPC305205
0.8403 Intermediate Similarity NPC78446
0.8403 Intermediate Similarity NPC122792
0.8403 Intermediate Similarity NPC228972
0.8396 Intermediate Similarity NPC166761
0.839 Intermediate Similarity NPC36016
0.839 Intermediate Similarity NPC474864
0.839 Intermediate Similarity NPC74137
0.839 Intermediate Similarity NPC100099
0.8364 Intermediate Similarity NPC201959
0.8364 Intermediate Similarity NPC241549
0.8364 Intermediate Similarity NPC174981
0.8362 Intermediate Similarity NPC15805
0.8362 Intermediate Similarity NPC475961
0.8362 Intermediate Similarity NPC254625
0.8361 Intermediate Similarity NPC471518
0.8361 Intermediate Similarity NPC471519
0.8361 Intermediate Similarity NPC190144
0.8361 Intermediate Similarity NPC58164
0.8361 Intermediate Similarity NPC470633
0.8361 Intermediate Similarity NPC476968
0.8361 Intermediate Similarity NPC10225
0.8361 Intermediate Similarity NPC170844
0.8361 Intermediate Similarity NPC228769
0.8349 Intermediate Similarity NPC118286
0.8349 Intermediate Similarity NPC109691
0.8349 Intermediate Similarity NPC470700
0.8349 Intermediate Similarity NPC39664
0.8349 Intermediate Similarity NPC302681
0.8349 Intermediate Similarity NPC113457
0.8349 Intermediate Similarity NPC39097

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC94045 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
0.875 High Similarity NPD1242 Phase 1
0.8596 High Similarity NPD1548 Phase 1
0.8462 Intermediate Similarity NPD1610 Phase 2
0.8361 Intermediate Similarity NPD3027 Phase 3
0.8211 Intermediate Similarity NPD4625 Phase 3
0.8182 Intermediate Similarity NPD968 Approved
0.8167 Intermediate Similarity NPD2983 Phase 2
0.8167 Intermediate Similarity NPD4749 Approved
0.8167 Intermediate Similarity NPD2982 Phase 2
0.813 Intermediate Similarity NPD4908 Phase 1
0.813 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8083 Intermediate Similarity NPD2981 Phase 2
0.8049 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8016 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8016 Intermediate Similarity NPD1613 Approved
0.8 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD422 Phase 1
0.7982 Intermediate Similarity NPD228 Approved
0.7967 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7903 Intermediate Similarity NPD3018 Phase 2
0.7857 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD940 Approved
0.7818 Intermediate Similarity NPD846 Approved
0.7807 Intermediate Similarity NPD4750 Phase 3
0.7734 Intermediate Similarity NPD1240 Approved
0.7712 Intermediate Similarity NPD6671 Approved
0.7642 Intermediate Similarity NPD1608 Approved
0.7632 Intermediate Similarity NPD290 Approved
0.7619 Intermediate Similarity NPD9295 Approved
0.7619 Intermediate Similarity NPD2861 Phase 2
0.7615 Intermediate Similarity NPD1607 Approved
0.7593 Intermediate Similarity NPD2933 Approved
0.7593 Intermediate Similarity NPD2934 Approved
0.7581 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7581 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7563 Intermediate Similarity NPD709 Approved
0.7542 Intermediate Similarity NPD5283 Phase 1
0.7523 Intermediate Similarity NPD2860 Approved
0.7523 Intermediate Similarity NPD2859 Approved
0.75 Intermediate Similarity NPD1510 Phase 2
0.7477 Intermediate Similarity NPD3020 Approved
0.7451 Intermediate Similarity NPD9089 Approved
0.7444 Intermediate Similarity NPD6100 Approved
0.7444 Intermediate Similarity NPD1551 Phase 2
0.7444 Intermediate Similarity NPD6099 Approved
0.7419 Intermediate Similarity NPD1091 Approved
0.7404 Intermediate Similarity NPD111 Approved
0.7402 Intermediate Similarity NPD6584 Phase 3
0.7398 Intermediate Similarity NPD1778 Approved
0.7398 Intermediate Similarity NPD17 Approved
0.7364 Intermediate Similarity NPD844 Approved
0.736 Intermediate Similarity NPD2233 Approved
0.736 Intermediate Similarity NPD2230 Approved
0.736 Intermediate Similarity NPD2232 Approved
0.7353 Intermediate Similarity NPD9093 Approved
0.735 Intermediate Similarity NPD5451 Approved
0.7333 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD1558 Phase 1
0.7328 Intermediate Similarity NPD2238 Phase 2
0.7319 Intermediate Similarity NPD4357 Discontinued
0.7317 Intermediate Similarity NPD1357 Approved
0.7297 Intermediate Similarity NPD288 Approved
0.7295 Intermediate Similarity NPD5536 Phase 2
0.7273 Intermediate Similarity NPD9296 Approved
0.7265 Intermediate Similarity NPD2684 Approved
0.7259 Intermediate Similarity NPD3540 Phase 1
0.7259 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD3225 Approved
0.7244 Intermediate Similarity NPD1283 Approved
0.7236 Intermediate Similarity NPD1182 Approved
0.7226 Intermediate Similarity NPD3892 Phase 2
0.7222 Intermediate Similarity NPD2231 Phase 2
0.7222 Intermediate Similarity NPD2235 Phase 2
0.7206 Intermediate Similarity NPD1549 Phase 2
0.7203 Intermediate Similarity NPD3022 Approved
0.7203 Intermediate Similarity NPD3021 Approved
0.7194 Intermediate Similarity NPD1511 Approved
0.7185 Intermediate Similarity NPD3539 Phase 1
0.7177 Intermediate Similarity NPD5585 Approved
0.7177 Intermediate Similarity NPD1651 Approved
0.7167 Intermediate Similarity NPD821 Approved
0.7165 Intermediate Similarity NPD6582 Phase 2
0.7165 Intermediate Similarity NPD6583 Phase 3
0.7165 Intermediate Similarity NPD1669 Approved
0.7143 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7447 Phase 1
0.712 Intermediate Similarity NPD4626 Approved
0.712 Intermediate Similarity NPD2667 Approved
0.712 Intermediate Similarity NPD2668 Approved
0.712 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7109 Intermediate Similarity NPD6696 Suspended
0.7101 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD3750 Approved
0.7101 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD3134 Approved
0.7092 Intermediate Similarity NPD1512 Approved
0.7071 Intermediate Similarity NPD7213 Phase 3
0.7071 Intermediate Similarity NPD7212 Phase 2
0.7068 Intermediate Similarity NPD4060 Phase 1
0.7063 Intermediate Similarity NPD3847 Discontinued
0.7063 Intermediate Similarity NPD3496 Discontinued
0.7059 Intermediate Similarity NPD2935 Discontinued
0.7054 Intermediate Similarity NPD2797 Approved
0.7054 Intermediate Similarity NPD1203 Approved
0.7037 Intermediate Similarity NPD9094 Approved
0.7034 Intermediate Similarity NPD1934 Approved
0.7034 Intermediate Similarity NPD1358 Approved
0.7025 Intermediate Similarity NPD5535 Approved
0.7025 Intermediate Similarity NPD7843 Approved
0.7023 Intermediate Similarity NPD600 Approved
0.7023 Intermediate Similarity NPD596 Approved
0.7015 Intermediate Similarity NPD230 Phase 1
0.7014 Intermediate Similarity NPD4675 Approved
0.7014 Intermediate Similarity NPD4678 Approved
0.7008 Intermediate Similarity NPD1535 Discovery
0.7008 Intermediate Similarity NPD1281 Approved
0.7 Intermediate Similarity NPD9365 Approved
0.7 Intermediate Similarity NPD4624 Approved
0.6992 Remote Similarity NPD7157 Approved
0.6986 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6986 Remote Similarity NPD2801 Approved
0.6963 Remote Similarity NPD4097 Suspended
0.696 Remote Similarity NPD1894 Discontinued
0.696 Remote Similarity NPD9545 Approved
0.6953 Remote Similarity NPD1481 Phase 2
0.6953 Remote Similarity NPD1840 Phase 2
0.6947 Remote Similarity NPD9494 Approved
0.6935 Remote Similarity NPD9493 Approved
0.6934 Remote Similarity NPD2796 Approved
0.6929 Remote Similarity NPD2219 Phase 1
0.6929 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6917 Remote Similarity NPD1792 Phase 2
0.6906 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6906 Remote Similarity NPD3060 Approved
0.6899 Remote Similarity NPD4359 Approved
0.6897 Remote Similarity NPD291 Approved
0.6894 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6892 Remote Similarity NPD3882 Suspended
0.6891 Remote Similarity NPD2342 Discontinued
0.6889 Remote Similarity NPD5124 Phase 1
0.6889 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6885 Remote Similarity NPD7635 Approved
0.6879 Remote Similarity NPD7124 Phase 2
0.6875 Remote Similarity NPD3705 Approved
0.6875 Remote Similarity NPD1653 Approved
0.6875 Remote Similarity NPD845 Approved
0.6875 Remote Similarity NPD1611 Approved
0.6866 Remote Similarity NPD839 Approved
0.6866 Remote Similarity NPD840 Approved
0.6864 Remote Similarity NPD9697 Approved
0.6861 Remote Similarity NPD7033 Discontinued
0.6855 Remote Similarity NPD2557 Approved
0.685 Remote Similarity NPD2107 Clinical (unspecified phase)
0.685 Remote Similarity NPD5846 Approved
0.685 Remote Similarity NPD6516 Phase 2
0.6846 Remote Similarity NPD2922 Phase 1
0.6842 Remote Similarity NPD7095 Approved
0.6838 Remote Similarity NPD3054 Approved
0.6838 Remote Similarity NPD2568 Approved
0.6838 Remote Similarity NPD9500 Approved
0.6838 Remote Similarity NPD3052 Approved
0.6838 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6829 Remote Similarity NPD1241 Discontinued
0.6829 Remote Similarity NPD1398 Phase 1
0.6828 Remote Similarity NPD4005 Discontinued
0.6822 Remote Similarity NPD1244 Clinical (unspecified phase)
0.6822 Remote Similarity NPD9717 Approved
0.6818 Remote Similarity NPD2407 Clinical (unspecified phase)
0.6815 Remote Similarity NPD3620 Phase 2
0.6815 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6807 Remote Similarity NPD1445 Approved
0.6807 Remote Similarity NPD1444 Approved
0.6803 Remote Similarity NPD37 Approved
0.68 Remote Similarity NPD3596 Phase 2
0.6791 Remote Similarity NPD3268 Approved
0.6791 Remote Similarity NPD3145 Approved
0.6791 Remote Similarity NPD3144 Approved
0.6791 Remote Similarity NPD3056 Clinical (unspecified phase)
0.6788 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6788 Remote Similarity NPD6111 Discontinued
0.6788 Remote Similarity NPD4536 Approved
0.6788 Remote Similarity NPD4538 Approved
0.6786 Remote Similarity NPD1652 Phase 2
0.6786 Remote Similarity NPD5177 Phase 3
0.6783 Remote Similarity NPD3157 Approved
0.6783 Remote Similarity NPD9273 Approved
0.6783 Remote Similarity NPD3158 Phase 1
0.6783 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6783 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6781 Remote Similarity NPD4380 Phase 2
0.6772 Remote Similarity NPD3444 Approved
0.6772 Remote Similarity NPD3445 Approved
0.6772 Remote Similarity NPD3443 Approved
0.6772 Remote Similarity NPD5691 Approved
0.6769 Remote Similarity NPD5327 Phase 3
0.6765 Remote Similarity NPD5735 Approved

Structure

External Identifiers

PubChem CID   5281719
ChEMBL   CHEMBL186366
ZINC  

Physicochemical Properties

Molecular Weight:  226.10
ALogP:  -0.0443
MLogP:  2.89
XLogP:  5.973
# Rotatable Bonds:  5
Polar Surface Area:  29.46
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

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