Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO18932.1 | Melia azedarach var. toosendan | Varieties | Meliaceae | Eukaryota | TM-MC* | |||
NPO23170 | Orobanche coerulescens | Species | Orobanchaceae | Eukaryota | TM-MC* | |||
NPO26857 | Orobanche pycnostachya | Species | Orobanchaceae | Eukaryota | TM-MC* | |||
NPO17553 | Pleione bulbocodioides | Species | Orchidaceae | Eukaryota | TM-MC* | |||
NPO12875 | Pleione yunnanensis | Species | Orchidaceae | Eukaryota | TM-MC* | |||
NPO29463 | Pogostemon cablin | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO28679 | Prunus mume | Species | Rosaceae | Eukaryota | TM-MC* | |||
NPO10271 | Psammosilene tunicoides | Species | Caryophyllaceae | Eukaryota | TM-MC* | |||
NPO2997 | Aloe africana | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* | |||
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | TM-MC* | |||
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* | |||
NPO1136 | Ranunculus ternatus | Species | Ranunculaceae | Eukaryota | TM-MC* | |||
NPO14763 | Aloe ferox | Species | Asphodelaceae | Eukaryota | TM-MC* | |||
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO2837 | Aloe spicata | Species | Asphodelaceae | Eukaryota | TM-MC* | |||
NPO25611 | Smilax china | Species | Smilacaceae | Eukaryota | TM-MC* | |||
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO7132 | Smilax glabra | Species | Smilacaceae | Eukaryota | TM-MC* | |||
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO17458 | Sparganium stoloniferum | Species | Typhaceae | Eukaryota | TM-MC* | |||
NPO25653 | Spatholobus suberectus | Species | Fabaceae | Eukaryota | TM-MC* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO523 | Tussilago farfara | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO25825 | Saussurea costus | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | TM-MC* | |||
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO3107 | Bupleurum falcatum | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO1484 | Bupleurum scorzonerifolium | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO11457 | Chelidonium majus | Species | Papaveraceae | Eukaryota | TM-MC* | |||
NPO16931 | Cichorium glandulosum | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO9865 | Cichorium intybus | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO1756 | Cremastra appendiculata | Species | Orchidaceae | Eukaryota | TM-MC* | |||
NPO4957 | Epimedium brevicornu | Species | Berberidaceae | Eukaryota | TM-MC* | |||
NPO19403 | Epimedium grandiflorum | Species | Berberidaceae | Eukaryota | TM-MC* | |||
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | TM-MC* | |||
NPO1689 | Epimedium pubescens | Species | Berberidaceae | Eukaryota | TM-MC* | |||
NPO10969 | Epimedium sagittatum | Species | Berberidaceae | Eukaryota | TM-MC* | |||
NPO13384 | Epimedium sempervirens | Species | Berberidaceae | Eukaryota | TM-MC* | |||
NPO9141 | Epimedium wushanense | Species | Berberidaceae | Eukaryota | TM-MC* | |||
NPO6029 | Lagotis brevituba | Species | Plantaginaceae | Eukaryota | TM-MC* | |||
NPO18932 | Melia azedarach | Species | Meliaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT791 | Individual Protein | Cruzipain | Trypanosoma cruzi | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT55 | Individual Protein | Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | = | 19905.4 | nM | PubChem BioAssay data set |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | 56234.1 | nM | PubChem BioAssay data set | |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | 31622.8 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 5623.4 | nM | PubChem BioAssay data set |
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 NPC72722 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 |
---|---|---|
0.898 | High Similarity | NPC324793 |
0.898 | High Similarity | NPC477878 |
0.8776 | High Similarity | NPC21844 |
0.8571 | High Similarity | NPC314679 |
0.8367 | Intermediate Similarity | NPC55023 |
0.8033 | Intermediate Similarity | NPC241949 |
0.7755 | Intermediate Similarity | NPC171736 |
0.7755 | Intermediate Similarity | NPC307783 |
0.7755 | Intermediate Similarity | NPC248763 |
0.7755 | Intermediate Similarity | NPC209970 |
0.7755 | Intermediate Similarity | NPC216630 |
0.7755 | Intermediate Similarity | NPC325452 |
0.7755 | Intermediate Similarity | NPC196924 |
0.7755 | Intermediate Similarity | NPC149184 |
0.76 | Intermediate Similarity | NPC67462 |
0.7541 | Intermediate Similarity | NPC474552 |
0.7451 | Intermediate Similarity | NPC74845 |
0.7419 | Intermediate Similarity | NPC470325 |
0.7419 | Intermediate Similarity | NPC53642 |
0.7358 | Intermediate Similarity | NPC249754 |
0.7347 | Intermediate Similarity | NPC294085 |
0.7347 | Intermediate Similarity | NPC279026 |
0.7347 | Intermediate Similarity | NPC183424 |
0.7347 | Intermediate Similarity | NPC261080 |
0.7347 | Intermediate Similarity | NPC301585 |
0.7347 | Intermediate Similarity | NPC118968 |
0.7347 | Intermediate Similarity | NPC301696 |
0.7347 | Intermediate Similarity | NPC154186 |
0.7347 | Intermediate Similarity | NPC113928 |
0.7347 | Intermediate Similarity | NPC201844 |
0.7347 | Intermediate Similarity | NPC3531 |
0.7347 | Intermediate Similarity | NPC214610 |
0.7347 | Intermediate Similarity | NPC14227 |
0.7333 | Intermediate Similarity | NPC470363 |
0.7333 | Intermediate Similarity | NPC475821 |
0.7308 | Intermediate Similarity | NPC8219 |
0.7302 | Intermediate Similarity | NPC476330 |
0.7273 | Intermediate Similarity | NPC305182 |
0.7231 | Intermediate Similarity | NPC319007 |
0.717 | Intermediate Similarity | NPC30195 |
0.717 | Intermediate Similarity | NPC308301 |
0.717 | Intermediate Similarity | NPC12438 |
0.7143 | Intermediate Similarity | NPC268826 |
0.7115 | Intermediate Similarity | NPC19305 |
0.7115 | Intermediate Similarity | NPC255837 |
0.7097 | Intermediate Similarity | NPC469923 |
0.7077 | Intermediate Similarity | NPC469925 |
0.7049 | Intermediate Similarity | NPC469924 |
0.7049 | Intermediate Similarity | NPC472020 |
0.7049 | Intermediate Similarity | NPC226602 |
0.7049 | Intermediate Similarity | NPC472019 |
0.7037 | Intermediate Similarity | NPC324004 |
0.7037 | Intermediate Similarity | NPC328497 |
0.7031 | Intermediate Similarity | NPC469791 |
0.7031 | Intermediate Similarity | NPC230047 |
0.7031 | Intermediate Similarity | NPC19311 |
0.697 | Remote Similarity | NPC36616 |
0.697 | Remote Similarity | NPC290445 |
0.697 | Remote Similarity | NPC470956 |
0.697 | Remote Similarity | NPC82315 |
0.6939 | Remote Similarity | NPC252843 |
0.6935 | Remote Similarity | NPC472328 |
0.6935 | Remote Similarity | NPC472021 |
0.6935 | Remote Similarity | NPC469921 |
0.6923 | Remote Similarity | NPC477931 |
0.6923 | Remote Similarity | NPC129972 |
0.6923 | Remote Similarity | NPC301528 |
0.6923 | Remote Similarity | NPC42060 |
0.6923 | Remote Similarity | NPC289686 |
0.6923 | Remote Similarity | NPC268736 |
0.6923 | Remote Similarity | NPC71317 |
0.6909 | Remote Similarity | NPC106872 |
0.6875 | Remote Similarity | NPC314103 |
0.6863 | Remote Similarity | NPC28598 |
0.6863 | Remote Similarity | NPC12156 |
0.6863 | Remote Similarity | NPC161097 |
0.6825 | Remote Similarity | NPC174560 |
0.6825 | Remote Similarity | NPC125312 |
0.6818 | Remote Similarity | NPC41542 |
0.6818 | Remote Similarity | NPC286842 |
0.6812 | Remote Similarity | NPC473775 |
0.6812 | Remote Similarity | NPC51249 |
0.6812 | Remote Similarity | NPC473699 |
0.6812 | Remote Similarity | NPC475260 |
0.6812 | Remote Similarity | NPC474100 |
0.6812 | Remote Similarity | NPC475232 |
0.6792 | Remote Similarity | NPC317128 |
0.6786 | Remote Similarity | NPC476469 |
0.678 | Remote Similarity | NPC319589 |
0.6769 | Remote Similarity | NPC306805 |
0.6769 | Remote Similarity | NPC215987 |
0.6735 | Remote Similarity | NPC155263 |
0.6735 | Remote Similarity | NPC134782 |
0.6731 | Remote Similarity | NPC163746 |
0.6731 | Remote Similarity | NPC103286 |
0.6719 | Remote Similarity | NPC235788 |
0.6716 | Remote Similarity | NPC281203 |
0.6716 | Remote Similarity | NPC469724 |
0.6716 | Remote Similarity | NPC31187 |
0.6716 | Remote Similarity | NPC100917 |
0.6667 | Remote Similarity | NPC472309 |
0.6667 | Remote Similarity | NPC469940 |
0.6667 | Remote Similarity | NPC90904 |
0.6667 | Remote Similarity | NPC219536 |
0.6667 | Remote Similarity | NPC238227 |
0.6667 | Remote Similarity | NPC31551 |
0.662 | Remote Similarity | NPC179858 |
0.6618 | Remote Similarity | NPC28526 |
0.6618 | Remote Similarity | NPC319671 |
0.6618 | Remote Similarity | NPC476734 |
0.6618 | Remote Similarity | NPC252032 |
0.6618 | Remote Similarity | NPC469941 |
0.6618 | Remote Similarity | NPC474962 |
0.6615 | Remote Similarity | NPC234767 |
0.6604 | Remote Similarity | NPC236579 |
0.6604 | Remote Similarity | NPC203531 |
0.6575 | Remote Similarity | NPC475616 |
0.6575 | Remote Similarity | NPC472608 |
0.6571 | Remote Similarity | NPC472813 |
0.6567 | Remote Similarity | NPC130459 |
0.6567 | Remote Similarity | NPC474221 |
0.6567 | Remote Similarity | NPC478180 |
0.6552 | Remote Similarity | NPC314084 |
0.6545 | Remote Similarity | NPC282440 |
0.6538 | Remote Similarity | NPC240109 |
0.6531 | Remote Similarity | NPC156630 |
0.6522 | Remote Similarity | NPC470268 |
0.6522 | Remote Similarity | NPC91369 |
0.6522 | Remote Similarity | NPC477929 |
0.6522 | Remote Similarity | NPC108131 |
0.6515 | Remote Similarity | NPC469926 |
0.65 | Remote Similarity | NPC469937 |
0.65 | Remote Similarity | NPC87394 |
0.65 | Remote Similarity | NPC53463 |
0.65 | Remote Similarity | NPC23155 |
0.65 | Remote Similarity | NPC320588 |
0.6491 | Remote Similarity | NPC26253 |
0.6491 | Remote Similarity | NPC304162 |
0.6486 | Remote Similarity | NPC19841 |
0.6479 | Remote Similarity | NPC317212 |
0.6479 | Remote Similarity | NPC477930 |
0.6479 | Remote Similarity | NPC215030 |
0.6471 | Remote Similarity | NPC305660 |
0.6471 | Remote Similarity | NPC476614 |
0.6471 | Remote Similarity | NPC54980 |
0.6471 | Remote Similarity | NPC201622 |
0.6471 | Remote Similarity | NPC476629 |
0.6471 | Remote Similarity | NPC22903 |
0.6438 | Remote Similarity | NPC474003 |
0.6438 | Remote Similarity | NPC317913 |
0.6438 | Remote Similarity | NPC207010 |
0.6438 | Remote Similarity | NPC469867 |
0.6438 | Remote Similarity | NPC122847 |
0.6429 | Remote Similarity | NPC160817 |
0.6429 | Remote Similarity | NPC72343 |
0.6429 | Remote Similarity | NPC478227 |
0.6415 | Remote Similarity | NPC53541 |
0.6406 | Remote Similarity | NPC478126 |
0.6389 | Remote Similarity | NPC477934 |
0.6389 | Remote Similarity | NPC179922 |
0.6389 | Remote Similarity | NPC228411 |
0.6377 | Remote Similarity | NPC196197 |
0.6377 | Remote Similarity | NPC64466 |
0.6364 | Remote Similarity | NPC287231 |
0.6364 | Remote Similarity | NPC469781 |
0.6364 | Remote Similarity | NPC47363 |
0.6351 | Remote Similarity | NPC470905 |
0.6351 | Remote Similarity | NPC476986 |
0.6346 | Remote Similarity | NPC221022 |
0.6338 | Remote Similarity | NPC36310 |
0.6324 | Remote Similarity | NPC476626 |
0.6324 | Remote Similarity | NPC470110 |
0.6316 | Remote Similarity | NPC200618 |
0.6316 | Remote Similarity | NPC131770 |
0.6316 | Remote Similarity | NPC13105 |
0.6308 | Remote Similarity | NPC469922 |
0.6308 | Remote Similarity | NPC306750 |
0.6301 | Remote Similarity | NPC4209 |
0.6301 | Remote Similarity | NPC476601 |
0.6301 | Remote Similarity | NPC246445 |
0.6301 | Remote Similarity | NPC469514 |
0.6301 | Remote Similarity | NPC477932 |
0.6301 | Remote Similarity | NPC474020 |
0.6301 | Remote Similarity | NPC477933 |
0.6301 | Remote Similarity | NPC279537 |
0.6286 | Remote Similarity | NPC477850 |
0.6271 | Remote Similarity | NPC470412 |
0.6271 | Remote Similarity | NPC470410 |
0.6271 | Remote Similarity | NPC100096 |
0.625 | Remote Similarity | NPC125506 |
0.625 | Remote Similarity | NPC167702 |
0.625 | Remote Similarity | NPC46610 |
0.625 | Remote Similarity | NPC255168 |
0.625 | Remote Similarity | NPC18819 |
0.625 | Remote Similarity | NPC280026 |
0.6234 | Remote Similarity | NPC133391 |
0.6232 | Remote Similarity | NPC474954 |
0.623 | Remote Similarity | NPC87564 |
0.623 | Remote Similarity | NPC424 |
0.623 | Remote Similarity | NPC281972 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC72722 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 |
---|---|---|---|
0.8571 | High Similarity | NPD634 | Phase 3 |
0.8302 | Intermediate Similarity | NPD3186 | Phase 1 |
0.8 | Intermediate Similarity | NPD615 | Clinical (unspecified phase) |
0.7755 | Intermediate Similarity | NPD2270 | Approved |
0.7679 | Intermediate Similarity | NPD3729 | Clinical (unspecified phase) |
0.7627 | Intermediate Similarity | NPD3198 | Approved |
0.7347 | Intermediate Similarity | NPD9448 | Phase 2 |
0.7347 | Intermediate Similarity | NPD633 | Phase 3 |
0.7347 | Intermediate Similarity | NPD9450 | Approved |
0.7347 | Intermediate Similarity | NPD9655 | Approved |
0.7347 | Intermediate Similarity | NPD77 | Approved |
0.7308 | Intermediate Similarity | NPD3199 | Clinical (unspecified phase) |
0.7255 | Intermediate Similarity | NPD387 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD7909 | Approved |
0.7143 | Intermediate Similarity | NPD3206 | Approved |
0.6939 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.6842 | Remote Similarity | NPD9638 | Phase 2 |
0.6667 | Remote Similarity | NPD6081 | Approved |
0.6667 | Remote Similarity | NPD4224 | Phase 2 |
0.6607 | Remote Similarity | NPD2266 | Phase 2 |
0.6538 | Remote Similarity | NPD9635 | Discontinued |
0.6531 | Remote Similarity | NPD9447 | Approved |
0.65 | Remote Similarity | NPD3728 | Approved |
0.65 | Remote Similarity | NPD3730 | Approved |
0.6438 | Remote Similarity | NPD6116 | Phase 1 |
0.6364 | Remote Similarity | NPD2699 | Approved |
0.6351 | Remote Similarity | NPD4802 | Phase 2 |
0.6351 | Remote Similarity | NPD4238 | Approved |
0.6308 | Remote Similarity | NPD9676 | Phase 3 |
0.6301 | Remote Similarity | NPD6117 | Approved |
0.625 | Remote Similarity | NPD4280 | Approved |
0.625 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.623 | Remote Similarity | NPD3196 | Approved |
0.623 | Remote Similarity | NPD3194 | Approved |
0.623 | Remote Similarity | NPD3195 | Phase 2 |
0.623 | Remote Similarity | NPD4266 | Approved |
0.619 | Remote Similarity | NPD4279 | Approved |
0.6184 | Remote Similarity | NPD5368 | Approved |
0.6176 | Remote Similarity | NPD375 | Phase 2 |
0.6154 | Remote Similarity | NPD9656 | Approved |
0.6133 | Remote Similarity | NPD6697 | Approved |
0.6133 | Remote Similarity | NPD6115 | Approved |
0.6133 | Remote Similarity | NPD6118 | Approved |
0.6133 | Remote Similarity | NPD6114 | Approved |
0.6104 | Remote Similarity | NPD5369 | Approved |
0.6066 | Remote Similarity | NPD3172 | Approved |
0.6034 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.6034 | Remote Similarity | NPD622 | Approved |
0.6029 | Remote Similarity | NPD9496 | Clinical (unspecified phase) |
0.6029 | Remote Similarity | NPD7341 | Phase 2 |
0.6029 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.6026 | Remote Similarity | NPD4269 | Approved |
0.6026 | Remote Similarity | NPD6435 | Approved |
0.6026 | Remote Similarity | NPD4270 | Approved |
0.6 | Remote Similarity | NPD5360 | Phase 3 |
0.6 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD229 | Approved |
0.5965 | Remote Similarity | NPD9431 | Approved |
0.5965 | Remote Similarity | NPD9430 | Approved |
0.5946 | Remote Similarity | NPD3702 | Approved |
0.5946 | Remote Similarity | NPD2257 | Approved |
0.5938 | Remote Similarity | NPD9438 | Approved |
0.5938 | Remote Similarity | NPD9439 | Approved |
0.5926 | Remote Similarity | NPD5786 | Approved |
0.5921 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5915 | Remote Similarity | NPD3725 | Approved |
0.5915 | Remote Similarity | NPD3726 | Approved |
0.5873 | Remote Similarity | NPD9454 | Approved |
0.5833 | Remote Similarity | NPD4244 | Approved |
0.5833 | Remote Similarity | NPD4245 | Approved |
0.5833 | Remote Similarity | NPD4789 | Approved |
0.5802 | Remote Similarity | NPD5363 | Approved |
0.5769 | Remote Similarity | NPD612 | Discontinued |
0.5769 | Remote Similarity | NPD4821 | Approved |
0.5769 | Remote Similarity | NPD4819 | Approved |
0.5769 | Remote Similarity | NPD4822 | Approved |
0.5769 | Remote Similarity | NPD4820 | Approved |
0.5769 | Remote Similarity | NPD4252 | Approved |
0.5765 | Remote Similarity | NPD8034 | Phase 2 |
0.5765 | Remote Similarity | NPD8035 | Phase 2 |
0.5753 | Remote Similarity | NPD5777 | Approved |
0.5753 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.5753 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.575 | Remote Similarity | NPD5362 | Discontinued |
0.5738 | Remote Similarity | NPD29 | Approved |
0.5738 | Remote Similarity | NPD28 | Approved |
0.5714 | Remote Similarity | NPD4271 | Approved |
0.5714 | Remote Similarity | NPD4268 | Approved |
0.5714 | Remote Similarity | NPD7331 | Phase 2 |
0.5698 | Remote Similarity | NPD6399 | Phase 3 |
0.5694 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5694 | Remote Similarity | NPD3698 | Phase 2 |
0.5694 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.569 | Remote Similarity | NPD388 | Approved |
0.569 | Remote Similarity | NPD386 | Approved |
0.5686 | Remote Similarity | NPD8857 | Approved |
0.5625 | Remote Similarity | NPD4800 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD632 | Discontinued |
PubChem CID   | 99891 |
ChEMBL   | CHEMBL1417088 |
ZINC   |
Molecular Weight:   | 300.23 |
ALogP:   | -2.9026 |
MLogP:   | 2.89 |
XLogP:   | 6.135 |
# Rotatable Bonds:   | 18 |
Polar Surface Area:   | 74.6 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 21 |