Natural Product: NPC185538

Natural Product ID:  NPC185538
Common Name:   Octacosan-1-Ol
IUPAC Name:   octacosan-1-ol
Synonyms:   Octacosan-1-ol
Molecular Formula:   C28H58O
Standard InCHIKey:  CNNRPFQICPFDPO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
Canonical SMILES:  CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
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
NPO28103 Erica carnea Species Ericaceae Eukaryota UNPD*
NPO14240 Justicia ghiesbreghtiana Species Acanthaceae Eukaryota UNPD*
NPO1288 Phora scalaris Species Phoridae Eukaryota UNPD*
NPO12068 Firmiana simplex Species Malvaceae Eukaryota TCMID*
NPO13824 Thladiantha cordifolia Species Cucurbitaceae Eukaryota UNPD*
NPO12068 Firmiana simplex Species Malvaceae Eukaryota HerDing*
NPO22953 Eupatorium pauciflorum Species Asteraceae Eukaryota UNPD*
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota UNPD*
NPO21089 Mourera fluviatilis Species Podostemaceae Eukaryota UNPD*
NPO14975 Adenanthera pavonina Species Fabaceae Eukaryota TCMID*
NPO12682 Euphorbia helioscopia Species Euphorbiaceae Eukaryota HerDing*
NPO20707 Stillingia sanguinolenta Species Euphorbiaceae Eukaryota UNPD*
NPO22308 Stevia satureiaefolia Species Asteraceae Eukaryota UNPD*
NPO21413 Armillaria tabescens Species Physalacriaceae Eukaryota UNPD*
NPO21528 Equisetum arvense Species Equisetaceae Eukaryota TCMID*
NPO14975 Adenanthera pavonina Species Fabaceae Eukaryota HerDing*
NPO1572.1 Artemisia dracunculus var. glauca Varieties Asteraceae Eukaryota UNPD*
NPO15763 Huperzia lucidula Species Lycopodiaceae Eukaryota UNPD*
NPO23759 Litsea zeylanica Species Lauraceae Eukaryota UNPD*
NPO24560 Ricinus communis Species Euphorbiaceae Eukaryota TCMID*
NPO20789 Acanthus ilicifolius Species Acanthaceae Eukaryota HerDing*
NPO20203 Syringa komarowi Species Oleaceae Eukaryota UNPD*
NPO20835 Medicago truncatula Species Fabaceae Eukaryota UNPD*
NPO21725 Uncaria glabrata Species Rubiaceae Eukaryota UNPD*
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota TCMID*
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota HerDing*
NPO21654 Cyerce cristallina Species Caliphyllidae Eukaryota UNPD*
NPO17058 Nicotiana obtusifolia Species Solanaceae Eukaryota UNPD*
NPO9714 Symphyopappus compressus Species Asteraceae Eukaryota UNPD*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TCMID*
NPO21528 Equisetum arvense Species Equisetaceae Eukaryota HerDing*
NPO22048 Pteris palmiformis Species Pteridaceae Eukaryota UNPD*
NPO18708 Streptomyces diastatochromogenes Species Streptomycetaceae Bacteria UNPD*
NPO5842 Annulohypoxylon truncatum Species Xylariaceae Eukaryota UNPD*
NPO8930 Artemisia roxbugiana Species Asteraceae Eukaryota TCMID*
NPO25972 Eupolyphaga sinensis Species Corydiidae Eukaryota TCM_Taiwan*
NPO8439 Lecanora stenotropa Species Lecanoraceae Eukaryota UNPD*
NPO6170 Caulis akebiae NA NA NA TCMSP*
NPO22372 Callicarpa bodinieri Species Lamiaceae Eukaryota UNPD*
NPO29062 Hibiscus syriacus Species Malvaceae Eukaryota TCMID*
NPO20522 Pyura sacciformis Species Pyuridae Eukaryota UNPD*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota HerDing*
NPO5504 Verbascum salviifolium Species Scrophulariaceae Eukaryota UNPD*
NPO2816 Cymbopon citratus(d c.) stapf NA NA NA TCMSP*
NPO6329 Abies chensiensis Species Pinaceae Eukaryota UNPD*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMID*
NPO1206 Aspergillus citricus Species Aspergillaceae Eukaryota UNPD*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota HerDing*
NPO22499 Corydalis flabellata Species Papaveraceae Eukaryota UNPD*
NPO29568 Nardostachyos radix et rhizoma NA NA NA TCMSP*
NPO21599 Ricciocarpos natans Species Ricciaceae Eukaryota UNPD*
NPO2241 Semen alpiniae katsumadai NA NA NA TCMID*
NPO9202 Hololepis pedunculata Species Asteraceae Eukaryota UNPD*
NPO2892 Wikstroemia chamaedaphne Species Thymelaeaceae Eukaryota HerDing*
NPO14756 Ilex goshiensis Species Aquifoliaceae Eukaryota UNPD*
NPO16593 Herba clematidis aethusaefoliae NA NA NA TCMSP*
NPO20789 Acanthus ilicifolius Species Acanthaceae Eukaryota TCMID*
NPO12571 Monanthotaxis congoensis Species Annonaceae Eukaryota UNPD*
NPO29062 Hibiscus syriacus Species Malvaceae Eukaryota HerDing*
NPO20021 Physcia aegialita Species Physciaceae Eukaryota UNPD*
NPO29592 Chrysanthemi indici flos NA NA NA TCMSP*
NPO2554 Biancaea sappan Species Fabaceae Eukaryota TCMID*
NPO17599 Vismia reichardtiana Species Hypericaceae Eukaryota UNPD*
NPO29935 Caesalpinia sappan Species Fabaceae Eukaryota HerDing*
NPO22887 Scutellaria violacea Species Lamiaceae Eukaryota UNPD*
NPO29652 Clematidis armandii caulis Species NA Eukaryota TCMSP*
NPO12682 Euphorbia helioscopia Species Euphorbiaceae Eukaryota TCMID*
NPO3278 Spongia communis Species Spongiidae Eukaryota UNPD*
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota HerDing*
NPO28904 Neonectria fuckeliana Species Nectriaceae Eukaryota UNPD*
NPO6805 Cortex hibisci NA NA NA TCMSP*
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota TCMID*
NPO10700 Filipendula ulmaria Species Rosaceae Eukaryota UNPD*
NPO8930 Artemisia roxbugiana Species Asteraceae Eukaryota HerDing*
NPO20381 Echites hirsuta Species Apocynaceae Eukaryota UNPD*
NPO3041 Rhizome of whiteback greenbrier NA NA NA TCMSP*
NPO878 Hannoa undulata Species Simaroubaceae Eukaryota UNPD*
NPO1792 Terminalia calamansanay Species Combretaceae Eukaryota UNPD*
NPO3522 Stachytarpheta cayennensis Species Verbenaceae Eukaryota UNPD*
NPO12837 Simsia dombeyana Species Asteraceae Eukaryota UNPD*
NPO29578 Crataegi folium NA NA NA TCMSP*
NPO20088 Piper sintenense Species Piperaceae Eukaryota UNPD*
NPO22756 Epimedium versicolor Species Berberidaceae Eukaryota UNPD*
NPO13416 Nereis vancaurica Species Nereididae Eukaryota UNPD*
NPO27489 Alloascoidea hylecoeti Species Alloascoideaceae Eukaryota UNPD*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO15478 Senna sophera Species Fabaceae Eukaryota UNPD*
NPO4478 Parmelia pseudoreticulata Species Parmeliaceae Eukaryota UNPD*
NPO9537 Bauhinia racemosa Species Fabaceae Eukaryota PMID[22348826]
NPO14496 Eranthis cilicica Species Ranunculaceae Eukaryota UNPD*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO12097 Prumnopitys ferruginea Species Podocarpaceae Eukaryota UNPD*
NPO19259 Agrostis epigeios Species Poaceae Eukaryota UNPD*
NPO6911 Nummularia discreta NA NA NA UNPD*
NPO13409 Crocus asturicus Species Iridaceae Eukaryota UNPD*
NPO5603 Eupatorium fortunei turcz Species Asteraceae Eukaryota TCMSP*
NPO14349 Aconitum turczaninowii Species Ranunculaceae Eukaryota UNPD*
NPO19891 Diospyros crassiflora Species Ebenaceae Eukaryota UNPD*
NPO11663 Nicotiana setchellii Species Solanaceae Eukaryota UNPD*
NPO29699 Meliae cortex NA NA NA TCMSP*
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota UNPD*
NPO7314 Rumohra miqueliana Species Dryopteridaceae Eukaryota UNPD*
NPO14099 Ocotea pretiosa Species Lauraceae Eukaryota UNPD*
NPO4234 Euonymi alati ramulus NA NA NA TCMSP*
NPO18123 Dichapetalum madagascariense Species Dichapetalaceae Eukaryota UNPD*
NPO19965 Helenium alternifolium Species Asteraceae Eukaryota UNPD*
NPO2076 Coffea bengalensis Species Rubiaceae Eukaryota UNPD*
NPO29566 Choerospondiatis fructus NA NA NA TCMSP*
NPO26325 Annulusmagnus triseptatus Species Annulatascaceae Eukaryota UNPD*
NPO20457 Spirastrella inconstans Species Spirastrellidae Eukaryota UNPD*
NPO21158 Viburnum fur Species Adoxaceae Eukaryota UNPD*
NPO20061 Hoveniae dulcis semen NA NA NA TCMSP*
NPO28519 Vachellia luederitzii Species Fabaceae Eukaryota UNPD*
NPO12068 Firmiana simplex Species Malvaceae Eukaryota UNPD*
NPO13093 Holcus lanatus Species Poaceae Eukaryota UNPD*
NPO13318 Euphorbiae helioscopiae herba NA NA NA TCMSP*
NPO8115 Polyopes affinis Species Halymeniaceae Eukaryota UNPD*
NPO20967 Doriopsilla albopunctata Species Dendrodorididae Eukaryota UNPD*
NPO20261 Teucrium trifidum Species Lamiaceae Eukaryota UNPD*
NPO8925 Euphorbia tinctoria Species Euphorbiaceae Eukaryota UNPD*
NPO22698 Achillea pannonica Species Asteraceae Eukaryota UNPD*
NPO20771 Thalictrum fortunei Species Ranunculaceae Eukaryota UNPD*
NPO4435 Brunfelsia grandiflora Species Solanaceae Eukaryota UNPD*
NPO22438 Asclepias speciosa Species Apocynaceae Eukaryota UNPD*
NPO10224 Operculina turpethum Species Convolvulaceae Eukaryota UNPD*
NPO24257 Asphodeline lutea Species Xanthorrhoeaceae Eukaryota UNPD*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO23006 Moringa stenopetala Species Moringaceae Eukaryota UNPD*
NPO20896 Mimosa tenuiflora Species Fabaceae Eukaryota UNPD*
NPO20583 Phaulopsis imbricata Species Acanthaceae Eukaryota UNPD*
NPO448 Millettia usaramensis Species Fabaceae Eukaryota UNPD*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota UNPD*
NPO22624 Clematis tangutica Species Ranunculaceae Eukaryota UNPD*
NPO26126 'prosuberites' laughlini Species Suberitidae Eukaryota UNPD*
NPO14108 Nardostachys jatamansi Species Caprifoliaceae Eukaryota TM-MC*
NPO4047 Pseudopterogorgia americana Species Gorgoniidae Eukaryota UNPD*
NPO20177 Verbesina luetzelburgii Species Asteraceae Eukaryota UNPD*
NPO13380 Atherosperma moschatum Species Atherospermataceae Eukaryota UNPD*
NPO2892 Wikstroemia chamaedaphne Species Thymelaeaceae Eukaryota TCMID*
NPO22113 Anthocercis genistoides Species Solanaceae Eukaryota UNPD*
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota UNPD*
NPO1711 Eupatorium buniifolium Species Asteraceae Eukaryota UNPD*
NPO11302 Hymenidium lindleyanum Species Apiaceae Eukaryota TCMID*
NPO21032 Manilkara hexandra Species Sapotaceae Eukaryota UNPD*
NPO27929 Aphanamixis polystachya Species Meliaceae Eukaryota UNPD*
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota UNPD*
NPO23604 Fructus choerospondiatis NA NA NA TCMID*
NPO13374 Primula grandiflora Species Primulaceae Eukaryota UNPD*
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT138 Organism Brugia malayi Brugia malayi Inhibition = 0 % 22348826
NPT138 Organism Brugia malayi Brugia malayi Inhibition = 32.6 % 22348826
NPT138 Organism Brugia malayi Brugia malayi MIC = 31.25 ug/ml 22348826
NPT138 Organism Brugia malayi Brugia malayi IC50 = 3.26 ug/ml 22348826
NPT189 Cell Line Vero Chlorocebus aethiops CC50 > 100 ug/ml 22348826
NPT2 Others Unspecified Ratio CC50/IC50 > 30.67 22348826
NPT138 Organism Brugia malayi Brugia malayi Inhibition = 50 % 22348826
NPT138 Organism Brugia malayi Brugia malayi Inhibition = 100 % 22348826
NPT138 Organism Brugia malayi Brugia malayi Inhibition = 95 % 22348826
NPT138 Organism Brugia malayi Brugia malayi Inhibition = 85 % 22348826
NPT138 Organism Brugia malayi Brugia malayi Activity = -49.95 % 22348826
NPT138 Organism Brugia malayi Brugia malayi Activity = 0 % 22348826

  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 NPC185538 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 NPC139131
1.0 High Similarity NPC181516
1.0 High Similarity NPC272998
1.0 High Similarity NPC291158
1.0 High Similarity NPC205141
0.9667 High Similarity NPC126915
0.9375 High Similarity NPC97967
0.9355 High Similarity NPC12231
0.9355 High Similarity NPC152759
0.9333 High Similarity NPC112242
0.9333 High Similarity NPC163556
0.9333 High Similarity NPC236797
0.9333 High Similarity NPC24506
0.9333 High Similarity NPC147096
0.9333 High Similarity NPC185041
0.9333 High Similarity NPC225783
0.9091 High Similarity NPC474914
0.9091 High Similarity NPC474392
0.8824 High Similarity NPC74352
0.875 High Similarity NPC319034
0.875 High Similarity NPC1748
0.875 High Similarity NPC66124
0.875 High Similarity NPC193062
0.875 High Similarity NPC72324
0.8667 High Similarity NPC279895
0.8438 Intermediate Similarity NPC122962
0.8438 Intermediate Similarity NPC267243
0.8333 Intermediate Similarity NPC221022
0.8056 Intermediate Similarity NPC197039
0.7838 Intermediate Similarity NPC471282
0.7812 Intermediate Similarity NPC110884
0.7778 Intermediate Similarity NPC177022
0.7667 Intermediate Similarity NPC275462
0.7632 Intermediate Similarity NPC160261
0.7632 Intermediate Similarity NPC152008
0.7632 Intermediate Similarity NPC469759
0.75 Intermediate Similarity NPC159845
0.7429 Intermediate Similarity NPC139569
0.7429 Intermediate Similarity NPC283682
0.7429 Intermediate Similarity NPC474089
0.7429 Intermediate Similarity NPC474120
0.7317 Intermediate Similarity NPC215358
0.7317 Intermediate Similarity NPC469781
0.7143 Intermediate Similarity NPC76976
0.7143 Intermediate Similarity NPC473914
0.7143 Intermediate Similarity NPC12438
0.7143 Intermediate Similarity NPC30195
0.7097 Intermediate Similarity NPC213764
0.7 Intermediate Similarity NPC52403
0.6977 Remote Similarity NPC319709
0.6977 Remote Similarity NPC324004
0.6977 Remote Similarity NPC328497
0.6977 Remote Similarity NPC289484
0.697 Remote Similarity NPC223195
0.6923 Remote Similarity NPC31557
0.6923 Remote Similarity NPC28394
0.6905 Remote Similarity NPC62014
0.6875 Remote Similarity NPC560
0.6857 Remote Similarity NPC272426
0.6842 Remote Similarity NPC128996
0.6818 Remote Similarity NPC106872
0.6667 Remote Similarity NPC76051
0.6667 Remote Similarity NPC252978
0.6591 Remote Similarity NPC8597
0.6585 Remote Similarity NPC307783
0.6585 Remote Similarity NPC216630
0.6585 Remote Similarity NPC209970
0.6585 Remote Similarity NPC149184
0.6585 Remote Similarity NPC171736
0.6585 Remote Similarity NPC196924
0.6585 Remote Similarity NPC241279
0.6579 Remote Similarity NPC61665
0.6562 Remote Similarity NPC232554
0.6522 Remote Similarity NPC90904
0.6471 Remote Similarity NPC325345
0.6429 Remote Similarity NPC67462
0.641 Remote Similarity NPC277333
0.6364 Remote Similarity NPC87439
0.6333 Remote Similarity NPC294703
0.6316 Remote Similarity NPC196442
0.6316 Remote Similarity NPC223374
0.6316 Remote Similarity NPC86545
0.6316 Remote Similarity NPC301398
0.6304 Remote Similarity NPC26253
0.6304 Remote Similarity NPC304162
0.6279 Remote Similarity NPC74845
0.6279 Remote Similarity NPC144891
0.625 Remote Similarity NPC123814
0.625 Remote Similarity NPC199270
0.625 Remote Similarity NPC474322
0.625 Remote Similarity NPC245688
0.6222 Remote Similarity NPC176309
0.6222 Remote Similarity NPC287550
0.6222 Remote Similarity NPC198540
0.6222 Remote Similarity NPC147343
0.6222 Remote Similarity NPC84030
0.6222 Remote Similarity NPC223468
0.6216 Remote Similarity NPC147054
0.6176 Remote Similarity NPC39869
0.6176 Remote Similarity NPC276332
0.6154 Remote Similarity NPC328441
0.6136 Remote Similarity NPC240994
0.6136 Remote Similarity NPC8219
0.6122 Remote Similarity NPC270041
0.6098 Remote Similarity NPC261080
0.6098 Remote Similarity NPC279026
0.6098 Remote Similarity NPC301585
0.6098 Remote Similarity NPC14227
0.6098 Remote Similarity NPC301696
0.6098 Remote Similarity NPC113928
0.6098 Remote Similarity NPC154186
0.6098 Remote Similarity NPC201844
0.6087 Remote Similarity NPC96966
0.6087 Remote Similarity NPC29222
0.6087 Remote Similarity NPC121062
0.6087 Remote Similarity NPC131770
0.6087 Remote Similarity NPC200618
0.6053 Remote Similarity NPC286498
0.6047 Remote Similarity NPC474125
0.6047 Remote Similarity NPC71317
0.6047 Remote Similarity NPC129972
0.6047 Remote Similarity NPC301528
0.6047 Remote Similarity NPC249801
0.6047 Remote Similarity NPC474126
0.6047 Remote Similarity NPC203531
0.6047 Remote Similarity NPC46248
0.6047 Remote Similarity NPC236579
0.6 Remote Similarity NPC289979
0.6 Remote Similarity NPC53463
0.6 Remote Similarity NPC23155
0.6 Remote Similarity NPC469937
0.6 Remote Similarity NPC320588
0.5952 Remote Similarity NPC161097
0.5952 Remote Similarity NPC28598
0.5938 Remote Similarity NPC39977
0.5909 Remote Similarity NPC255837
0.5909 Remote Similarity NPC19305
0.5882 Remote Similarity NPC252154
0.587 Remote Similarity NPC21844
0.5854 Remote Similarity NPC473568
0.5854 Remote Similarity NPC469714
0.5854 Remote Similarity NPC469712
0.5814 Remote Similarity NPC103286
0.5814 Remote Similarity NPC474361
0.5814 Remote Similarity NPC163746
0.58 Remote Similarity NPC474496
0.58 Remote Similarity NPC187361
0.58 Remote Similarity NPC477724
0.58 Remote Similarity NPC26102
0.5778 Remote Similarity NPC287231
0.5778 Remote Similarity NPC47363
0.5778 Remote Similarity NPC108195
0.5769 Remote Similarity NPC148424
0.5769 Remote Similarity NPC471605
0.5769 Remote Similarity NPC8979
0.5769 Remote Similarity NPC471443
0.5758 Remote Similarity NPC256186
0.5758 Remote Similarity NPC23071
0.575 Remote Similarity NPC80641
0.5745 Remote Similarity NPC477878
0.5745 Remote Similarity NPC314087
0.5745 Remote Similarity NPC324793
0.5714 Remote Similarity NPC214610
0.5714 Remote Similarity NPC474495
0.5714 Remote Similarity NPC183424
0.5714 Remote Similarity NPC118968
0.5714 Remote Similarity NPC473672
0.5714 Remote Similarity NPC129263
0.5714 Remote Similarity NPC100096
0.5714 Remote Similarity NPC294085
0.5686 Remote Similarity NPC256209
0.5686 Remote Similarity NPC49059
0.5667 Remote Similarity NPC26974
0.5667 Remote Similarity NPC311000
0.5667 Remote Similarity NPC154477
0.5667 Remote Similarity NPC239406
0.5667 Remote Similarity NPC26229
0.5667 Remote Similarity NPC77249
0.566 Remote Similarity NPC322148
0.566 Remote Similarity NPC135438
0.5641 Remote Similarity NPC49615
0.5625 Remote Similarity NPC299484
0.5625 Remote Similarity NPC88839
0.5625 Remote Similarity NPC219266
0.5625 Remote Similarity NPC110344

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC185538 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
1.0 High Similarity NPD5383 Approved
1.0 High Similarity NPD2272 Approved
0.7632 Intermediate Similarity NPD7536 Approved
0.6977 Remote Similarity NPD3211 Approved
0.6857 Remote Similarity NPD1461 Approved
0.6857 Remote Similarity NPD908 Approved
0.6857 Remote Similarity NPD907 Approved
0.6585 Remote Similarity NPD2270 Approved
0.6522 Remote Similarity NPD3214 Discontinued
0.65 Remote Similarity NPD5799 Discontinued
0.6471 Remote Similarity NPD8988 Clinical (unspecified phase)
0.625 Remote Similarity NPD3215 Phase 1
0.6222 Remote Similarity NPD385 Approved
0.6222 Remote Similarity NPD384 Approved
0.6136 Remote Similarity NPD3199 Clinical (unspecified phase)
0.6098 Remote Similarity NPD633 Phase 3
0.6098 Remote Similarity NPD9448 Phase 2
0.6 Remote Similarity NPD3728 Approved
0.6 Remote Similarity NPD3730 Approved
0.6 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6 Remote Similarity NPD1152 Phase 2
0.5854 Remote Similarity NPD3206 Approved
0.5778 Remote Similarity NPD2699 Approved
0.5714 Remote Similarity NPD9655 Approved
0.5682 Remote Similarity NPD1462 Approved
0.5667 Remote Similarity NPD8223 Approved

Structure

External Identifiers

PubChem CID   68406
ChEMBL   CHEMBL1951714
ZINC  

Physicochemical Properties

Molecular Weight:  410.45
ALogP:  -7.8854
MLogP:  4.43
XLogP:  14.507
# Rotatable Bonds:  28
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  29

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs