Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | TCMSP* | |||
NPO29575 | Ardisiae japonicae herba | NA | NA | NA | TCMSP* | |||
NPO3196 | Physochlainae radix | NA | NA | NA | TCMSP* | |||
NPO29582 | Aloe | Genus | Asphodelaceae | Eukaryota | TCMSP* | |||
NPO29719 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | TCMSP* | |||
NPO28985 | Radix bupleuri | Species | Lymnaeidae | Eukaryota | TCMSP* | |||
NPO29580 | Tamaricis cacumen | NA | NA | NA | TCMSP* | |||
NPO29577 | Arecae semen | NA | NA | NA | TCMSP* | |||
NPO26378 | Bistorta manshuriensis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO28260 | Senna alexandrina | Species | Fabaceae | Eukaryota | TM-MC* | |||
NPO24644 | Hansenia forbesii | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO2392 | Hansenia weberbaueriana | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO2953 | Ostericum grosseserratum | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO20930 | Patrinia scabiosifolia | Species | Caprifoliaceae | Eukaryota | TM-MC* | |||
NPO9090 | Patrinia villosa | Species | Caprifoliaceae | Eukaryota | TM-MC* | |||
NPO23213 | Bistorta officinalis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | TCMID* | |||
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | TCMID* | |||
NPO5293 | Caulis perillae frutescentis | NA | NA | NA | TCMID* | |||
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | TCMID* | |||
NPO21963 | Hypericum japonicum | Species | Hypericaceae | Eukaryota | TCMID* | |||
NPO11144 | Centella asiatica | Species | Apiaceae | Eukaryota |
PMID[25518943] |
|||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[24421258] |
||
NPO24758 | Angelica dahurica | Species | Apiaceae | Eukaryota | TCM_Taiwan* | |||
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | HerDing* | |||
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | HerDing* | |||
NPO31286 | Dolichos lablab | Species | Fabaceae | Eukaryota | TCM_Taiwan* | |||
NPO7067 | Stellera chamaejasme | Species | Thymelaeaceae | Eukaryota | HerDing* | |||
NPO29626 | Foeniculi fructus | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | IC50 | = | 758577.58 | nM | 6887198 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | IC50 | = | 750000 | nM | 6802973 |
NPT2 | Others | Unspecified | Potency | 55156.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 30731.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 17441.9 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 61317.1 | nM | PubChem BioAssay data set | |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 55156.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 43812.1 | nM | PubChem BioAssay data set | ||
NPT162 | Individual Protein | Heat shock protein beta-1 | Homo sapiens | Potency | 55156.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 48705.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 24637.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 5515.6 | 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 NPC113928 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 | NPC154186 |
1.0 | High Similarity | NPC301585 |
1.0 | High Similarity | NPC301696 |
1.0 | High Similarity | NPC201844 |
1.0 | High Similarity | NPC14227 |
1.0 | High Similarity | NPC261080 |
1.0 | High Similarity | NPC279026 |
0.9474 | High Similarity | NPC171736 |
0.9474 | High Similarity | NPC216630 |
0.9474 | High Similarity | NPC307783 |
0.9474 | High Similarity | NPC209970 |
0.9474 | High Similarity | NPC149184 |
0.9474 | High Similarity | NPC196924 |
0.9459 | High Similarity | NPC183424 |
0.9459 | High Similarity | NPC294085 |
0.9459 | High Similarity | NPC118968 |
0.9459 | High Similarity | NPC214610 |
0.9231 | High Similarity | NPC67462 |
0.9189 | High Similarity | NPC268826 |
0.9167 | High Similarity | NPC155263 |
0.9 | High Similarity | NPC19305 |
0.9 | High Similarity | NPC74845 |
0.9 | High Similarity | NPC255837 |
0.8889 | High Similarity | NPC156630 |
0.878 | High Similarity | NPC8219 |
0.878 | High Similarity | NPC55023 |
0.8684 | High Similarity | NPC22903 |
0.8684 | High Similarity | NPC305660 |
0.8684 | High Similarity | NPC54980 |
0.8684 | High Similarity | NPC201622 |
0.8649 | High Similarity | NPC134782 |
0.8571 | High Similarity | NPC314679 |
0.8571 | High Similarity | NPC30195 |
0.8571 | High Similarity | NPC12438 |
0.85 | High Similarity | NPC163746 |
0.85 | High Similarity | NPC103286 |
0.8462 | Intermediate Similarity | NPC31551 |
0.8462 | Intermediate Similarity | NPC219536 |
0.8372 | Intermediate Similarity | NPC324004 |
0.8372 | Intermediate Similarity | NPC328497 |
0.8372 | Intermediate Similarity | NPC21844 |
0.8333 | Intermediate Similarity | NPC175342 |
0.8293 | Intermediate Similarity | NPC301528 |
0.8293 | Intermediate Similarity | NPC129972 |
0.8293 | Intermediate Similarity | NPC71317 |
0.825 | Intermediate Similarity | NPC12156 |
0.825 | Intermediate Similarity | NPC250028 |
0.825 | Intermediate Similarity | NPC161097 |
0.825 | Intermediate Similarity | NPC28598 |
0.825 | Intermediate Similarity | NPC149299 |
0.825 | Intermediate Similarity | NPC256163 |
0.825 | Intermediate Similarity | NPC40597 |
0.8205 | Intermediate Similarity | NPC73245 |
0.8182 | Intermediate Similarity | NPC131770 |
0.8182 | Intermediate Similarity | NPC324793 |
0.8182 | Intermediate Similarity | NPC200618 |
0.8182 | Intermediate Similarity | NPC477878 |
0.8182 | Intermediate Similarity | NPC106872 |
0.8049 | Intermediate Similarity | NPC248763 |
0.8049 | Intermediate Similarity | NPC325452 |
0.8049 | Intermediate Similarity | NPC53541 |
0.8 | Intermediate Similarity | NPC223249 |
0.8 | Intermediate Similarity | NPC304162 |
0.8 | Intermediate Similarity | NPC80234 |
0.7857 | Intermediate Similarity | NPC203531 |
0.7857 | Intermediate Similarity | NPC236579 |
0.7857 | Intermediate Similarity | NPC289686 |
0.7838 | Intermediate Similarity | NPC328710 |
0.7838 | Intermediate Similarity | NPC18224 |
0.7826 | Intermediate Similarity | NPC90904 |
0.7805 | Intermediate Similarity | NPC165533 |
0.7778 | Intermediate Similarity | NPC180534 |
0.7727 | Intermediate Similarity | NPC166287 |
0.7674 | Intermediate Similarity | NPC76051 |
0.7674 | Intermediate Similarity | NPC317128 |
0.766 | Intermediate Similarity | NPC470412 |
0.766 | Intermediate Similarity | NPC470410 |
0.7609 | Intermediate Similarity | NPC26253 |
0.7561 | Intermediate Similarity | NPC3531 |
0.75 | Intermediate Similarity | NPC109026 |
0.75 | Intermediate Similarity | NPC252843 |
0.75 | Intermediate Similarity | NPC287231 |
0.75 | Intermediate Similarity | NPC47363 |
0.75 | Intermediate Similarity | NPC174368 |
0.75 | Intermediate Similarity | NPC158179 |
0.75 | Intermediate Similarity | NPC469781 |
0.75 | Intermediate Similarity | NPC281245 |
0.7447 | Intermediate Similarity | NPC50457 |
0.7436 | Intermediate Similarity | NPC317203 |
0.7347 | Intermediate Similarity | NPC36061 |
0.7347 | Intermediate Similarity | NPC72722 |
0.7347 | Intermediate Similarity | NPC1813 |
0.7347 | Intermediate Similarity | NPC294548 |
0.7347 | Intermediate Similarity | NPC139029 |
0.7333 | Intermediate Similarity | NPC63182 |
0.7333 | Intermediate Similarity | NPC52700 |
0.7333 | Intermediate Similarity | NPC105329 |
0.7333 | Intermediate Similarity | NPC145045 |
0.7317 | Intermediate Similarity | NPC326532 |
0.7292 | Intermediate Similarity | NPC100096 |
0.725 | Intermediate Similarity | NPC80641 |
0.725 | Intermediate Similarity | NPC154642 |
0.725 | Intermediate Similarity | NPC80396 |
0.72 | Intermediate Similarity | NPC281972 |
0.72 | Intermediate Similarity | NPC290563 |
0.72 | Intermediate Similarity | NPC85813 |
0.72 | Intermediate Similarity | NPC424 |
0.72 | Intermediate Similarity | NPC25417 |
0.72 | Intermediate Similarity | NPC6095 |
0.72 | Intermediate Similarity | NPC23155 |
0.72 | Intermediate Similarity | NPC320588 |
0.72 | Intermediate Similarity | NPC32467 |
0.72 | Intermediate Similarity | NPC154245 |
0.72 | Intermediate Similarity | NPC88966 |
0.72 | Intermediate Similarity | NPC87564 |
0.72 | Intermediate Similarity | NPC469937 |
0.72 | Intermediate Similarity | NPC53463 |
0.72 | Intermediate Similarity | NPC87394 |
0.72 | Intermediate Similarity | NPC261831 |
0.7179 | Intermediate Similarity | NPC57499 |
0.7174 | Intermediate Similarity | NPC326957 |
0.7143 | Intermediate Similarity | NPC18357 |
0.7111 | Intermediate Similarity | NPC273545 |
0.7021 | Intermediate Similarity | NPC216130 |
0.7 | Intermediate Similarity | NPC301398 |
0.7 | Intermediate Similarity | NPC70387 |
0.7 | Intermediate Similarity | NPC196442 |
0.7 | Intermediate Similarity | NPC223374 |
0.7 | Intermediate Similarity | NPC321062 |
0.7 | Intermediate Similarity | NPC86545 |
0.6923 | Remote Similarity | NPC187777 |
0.6923 | Remote Similarity | NPC18951 |
0.6923 | Remote Similarity | NPC179764 |
0.6923 | Remote Similarity | NPC477201 |
0.6875 | Remote Similarity | NPC476469 |
0.6842 | Remote Similarity | NPC168982 |
0.68 | Remote Similarity | NPC92114 |
0.6792 | Remote Similarity | NPC225929 |
0.675 | Remote Similarity | NPC127142 |
0.675 | Remote Similarity | NPC286498 |
0.675 | Remote Similarity | NPC7814 |
0.675 | Remote Similarity | NPC154396 |
0.6744 | Remote Similarity | NPC81263 |
0.6735 | Remote Similarity | NPC55678 |
0.6735 | Remote Similarity | NPC305182 |
0.6735 | Remote Similarity | NPC224227 |
0.6731 | Remote Similarity | NPC274290 |
0.6731 | Remote Similarity | NPC473863 |
0.6731 | Remote Similarity | NPC54766 |
0.6667 | Remote Similarity | NPC176500 |
0.6667 | Remote Similarity | NPC149209 |
0.6667 | Remote Similarity | NPC128996 |
0.66 | Remote Similarity | NPC262968 |
0.66 | Remote Similarity | NPC314084 |
0.66 | Remote Similarity | NPC287811 |
0.6579 | Remote Similarity | NPC153439 |
0.6579 | Remote Similarity | NPC221192 |
0.6579 | Remote Similarity | NPC196434 |
0.6579 | Remote Similarity | NPC79887 |
0.6579 | Remote Similarity | NPC29561 |
0.6579 | Remote Similarity | NPC4962 |
0.6579 | Remote Similarity | NPC222997 |
0.6579 | Remote Similarity | NPC42403 |
0.6545 | Remote Similarity | NPC475821 |
0.6545 | Remote Similarity | NPC470363 |
0.6545 | Remote Similarity | NPC274927 |
0.6545 | Remote Similarity | NPC17935 |
0.6545 | Remote Similarity | NPC469924 |
0.6545 | Remote Similarity | NPC106851 |
0.6531 | Remote Similarity | NPC149821 |
0.6531 | Remote Similarity | NPC250919 |
0.6531 | Remote Similarity | NPC5413 |
0.65 | Remote Similarity | NPC125575 |
0.65 | Remote Similarity | NPC322892 |
0.65 | Remote Similarity | NPC286695 |
0.6471 | Remote Similarity | NPC161366 |
0.6471 | Remote Similarity | NPC310746 |
0.6458 | Remote Similarity | NPC249754 |
0.6429 | Remote Similarity | NPC243532 |
0.6429 | Remote Similarity | NPC251042 |
0.6429 | Remote Similarity | NPC235242 |
0.6429 | Remote Similarity | NPC469921 |
0.6429 | Remote Similarity | NPC174447 |
0.6429 | Remote Similarity | NPC122521 |
0.641 | Remote Similarity | NPC236797 |
0.641 | Remote Similarity | NPC147096 |
0.641 | Remote Similarity | NPC24506 |
0.641 | Remote Similarity | NPC185041 |
0.641 | Remote Similarity | NPC225783 |
0.641 | Remote Similarity | NPC112242 |
0.641 | Remote Similarity | NPC163556 |
0.64 | Remote Similarity | NPC59051 |
0.6364 | Remote Similarity | NPC34416 |
0.6346 | Remote Similarity | NPC309606 |
0.6346 | Remote Similarity | NPC139545 |
0.6346 | Remote Similarity | NPC39633 |
0.6327 | Remote Similarity | NPC207292 |
0.6316 | Remote Similarity | NPC40082 |
0.6316 | Remote Similarity | NPC201939 |
0.6316 | Remote Similarity | NPC198118 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC113928 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 | NPD633 | Phase 3 |
1.0 | High Similarity | NPD9448 | Phase 2 |
0.9474 | High Similarity | NPD2270 | Approved |
0.9459 | High Similarity | NPD9655 | Approved |
0.878 | High Similarity | NPD3199 | Clinical (unspecified phase) |
0.8684 | High Similarity | NPD3206 | Approved |
0.8571 | High Similarity | NPD634 | Phase 3 |
0.7857 | Intermediate Similarity | NPD387 | Clinical (unspecified phase) |
0.7778 | Intermediate Similarity | NPD622 | Approved |
0.7727 | Intermediate Similarity | NPD9431 | Approved |
0.7727 | Intermediate Similarity | NPD9430 | Approved |
0.7561 | Intermediate Similarity | NPD77 | Approved |
0.7561 | Intermediate Similarity | NPD9450 | Approved |
0.75 | Intermediate Similarity | NPD3186 | Phase 1 |
0.75 | Intermediate Similarity | NPD2699 | Approved |
0.7347 | Intermediate Similarity | NPD3172 | Approved |
0.7317 | Intermediate Similarity | NPD9513 | Phase 1 |
0.72 | Intermediate Similarity | NPD3728 | Approved |
0.72 | Intermediate Similarity | NPD3196 | Approved |
0.72 | Intermediate Similarity | NPD4266 | Approved |
0.72 | Intermediate Similarity | NPD3729 | Clinical (unspecified phase) |
0.72 | Intermediate Similarity | NPD3195 | Phase 2 |
0.72 | Intermediate Similarity | NPD615 | Clinical (unspecified phase) |
0.72 | Intermediate Similarity | NPD3194 | Approved |
0.72 | Intermediate Similarity | NPD3730 | Approved |
0.7073 | Intermediate Similarity | NPD9449 | Clinical (unspecified phase) |
0.6939 | Remote Similarity | NPD9638 | Phase 2 |
0.675 | Remote Similarity | NPD8857 | Approved |
0.6667 | Remote Similarity | NPD2266 | Phase 2 |
0.6667 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.66 | Remote Similarity | NPD29 | Approved |
0.66 | Remote Similarity | NPD28 | Approved |
0.6591 | Remote Similarity | NPD9635 | Discontinued |
0.6585 | Remote Similarity | NPD9447 | Approved |
0.6545 | Remote Similarity | NPD3198 | Approved |
0.6531 | Remote Similarity | NPD3173 | Approved |
0.6316 | Remote Similarity | NPD9676 | Phase 3 |
0.617 | Remote Similarity | NPD9019 | Approved |
0.614 | Remote Similarity | NPD9656 | Approved |
0.6102 | Remote Similarity | NPD3197 | Phase 1 |
0.6102 | Remote Similarity | NPD7909 | Approved |
0.6098 | Remote Similarity | NPD5383 | Approved |
0.6098 | Remote Similarity | NPD2272 | Approved |
0.5918 | Remote Similarity | NPD4222 | Approved |
0.5918 | Remote Similarity | NPD3174 | Discontinued |
0.5902 | Remote Similarity | NPD4224 | Phase 2 |
0.5893 | Remote Similarity | NPD9438 | Approved |
0.5893 | Remote Similarity | NPD9439 | Approved |
0.5882 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.5818 | Remote Similarity | NPD9454 | Approved |
0.575 | Remote Similarity | NPD62 | Approved |
0.5714 | Remote Similarity | NPD73 | Approved |
0.5645 | Remote Similarity | NPD375 | Phase 2 |
0.561 | Remote Similarity | NPD8618 | Approved |
0.561 | Remote Similarity | NPD8590 | Approved |
0.56 | Remote Similarity | NPD39 | Approved |
PubChem CID   | 12530 |
ChEMBL   | CHEMBL107874 |
ZINC   |
Molecular Weight:   | 214.19 |
ALogP:   | -3.0337 |
MLogP:   | 2.67 |
XLogP:   | 5.863 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 37.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 15 |