Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 240000 | nM | 12444712 |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | MIC | = | 160000 | nM | 12444712 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 240000 | nM | 9170293 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IC50 | = | 36 | ug/ml | 9170293 |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | MIC | = | 160000 | nM | 9170293 |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | IC50 | < | 10 | ug/ml | 9170293 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | > | 100 | ug/ml | 9170293 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 100 | ug/ml | 9170293 |
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 NPC48162 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 |
---|---|---|
0.8958 | High Similarity | NPC91495 |
0.8936 | High Similarity | NPC117572 |
0.8776 | High Similarity | NPC149821 |
0.8776 | High Similarity | NPC5413 |
0.8704 | High Similarity | NPC329819 |
0.86 | High Similarity | NPC59051 |
0.8571 | High Similarity | NPC207292 |
0.8269 | Intermediate Similarity | NPC92114 |
0.8148 | Intermediate Similarity | NPC477984 |
0.8148 | Intermediate Similarity | NPC67367 |
0.8125 | Intermediate Similarity | NPC270796 |
0.8113 | Intermediate Similarity | NPC1813 |
0.8113 | Intermediate Similarity | NPC321062 |
0.8113 | Intermediate Similarity | NPC70387 |
0.8113 | Intermediate Similarity | NPC294548 |
0.8113 | Intermediate Similarity | NPC36061 |
0.8113 | Intermediate Similarity | NPC139029 |
0.8103 | Intermediate Similarity | NPC322457 |
0.8077 | Intermediate Similarity | NPC28205 |
0.8077 | Intermediate Similarity | NPC284212 |
0.8 | Intermediate Similarity | NPC42304 |
0.7963 | Intermediate Similarity | NPC290563 |
0.7963 | Intermediate Similarity | NPC85813 |
0.7963 | Intermediate Similarity | NPC6095 |
0.7963 | Intermediate Similarity | NPC25417 |
0.7963 | Intermediate Similarity | NPC154245 |
0.7963 | Intermediate Similarity | NPC87564 |
0.7963 | Intermediate Similarity | NPC32467 |
0.7963 | Intermediate Similarity | NPC261831 |
0.7963 | Intermediate Similarity | NPC322461 |
0.7963 | Intermediate Similarity | NPC281972 |
0.7963 | Intermediate Similarity | NPC424 |
0.7963 | Intermediate Similarity | NPC88966 |
0.7931 | Intermediate Similarity | NPC174560 |
0.7931 | Intermediate Similarity | NPC125312 |
0.7925 | Intermediate Similarity | NPC281245 |
0.7925 | Intermediate Similarity | NPC129458 |
0.7925 | Intermediate Similarity | NPC216407 |
0.7818 | Intermediate Similarity | NPC473863 |
0.7818 | Intermediate Similarity | NPC274290 |
0.7778 | Intermediate Similarity | NPC10081 |
0.7778 | Intermediate Similarity | NPC225066 |
0.7736 | Intermediate Similarity | NPC178586 |
0.7679 | Intermediate Similarity | NPC477201 |
0.7679 | Intermediate Similarity | NPC325977 |
0.7679 | Intermediate Similarity | NPC187777 |
0.7679 | Intermediate Similarity | NPC327388 |
0.7679 | Intermediate Similarity | NPC18951 |
0.7679 | Intermediate Similarity | NPC179764 |
0.7593 | Intermediate Similarity | NPC170167 |
0.7593 | Intermediate Similarity | NPC303765 |
0.7547 | Intermediate Similarity | NPC224227 |
0.7544 | Intermediate Similarity | NPC323436 |
0.7544 | Intermediate Similarity | NPC323498 |
0.7544 | Intermediate Similarity | NPC225929 |
0.7544 | Intermediate Similarity | NPC323597 |
0.7544 | Intermediate Similarity | NPC211752 |
0.75 | Intermediate Similarity | NPC45626 |
0.75 | Intermediate Similarity | NPC54766 |
0.746 | Intermediate Similarity | NPC273508 |
0.746 | Intermediate Similarity | NPC209327 |
0.746 | Intermediate Similarity | NPC476614 |
0.7419 | Intermediate Similarity | NPC308294 |
0.7419 | Intermediate Similarity | NPC142423 |
0.7407 | Intermediate Similarity | NPC244452 |
0.7407 | Intermediate Similarity | NPC262968 |
0.7377 | Intermediate Similarity | NPC234767 |
0.7321 | Intermediate Similarity | NPC137538 |
0.7321 | Intermediate Similarity | NPC474127 |
0.7302 | Intermediate Similarity | NPC60120 |
0.7288 | Intermediate Similarity | NPC329550 |
0.7288 | Intermediate Similarity | NPC106851 |
0.7288 | Intermediate Similarity | NPC274927 |
0.7288 | Intermediate Similarity | NPC329249 |
0.7273 | Intermediate Similarity | NPC151919 |
0.7231 | Intermediate Similarity | NPC318766 |
0.7222 | Intermediate Similarity | NPC289388 |
0.7193 | Intermediate Similarity | NPC46151 |
0.7193 | Intermediate Similarity | NPC52264 |
0.7188 | Intermediate Similarity | NPC53302 |
0.717 | Intermediate Similarity | NPC180534 |
0.7167 | Intermediate Similarity | NPC235242 |
0.7167 | Intermediate Similarity | NPC174447 |
0.7167 | Intermediate Similarity | NPC321919 |
0.7167 | Intermediate Similarity | NPC251042 |
0.7167 | Intermediate Similarity | NPC328311 |
0.7167 | Intermediate Similarity | NPC81896 |
0.7167 | Intermediate Similarity | NPC243532 |
0.7167 | Intermediate Similarity | NPC122521 |
0.7167 | Intermediate Similarity | NPC327112 |
0.7143 | Intermediate Similarity | NPC139545 |
0.7143 | Intermediate Similarity | NPC309606 |
0.7143 | Intermediate Similarity | NPC39633 |
0.7121 | Intermediate Similarity | NPC126061 |
0.7121 | Intermediate Similarity | NPC319163 |
0.7121 | Intermediate Similarity | NPC477983 |
0.7121 | Intermediate Similarity | NPC67076 |
0.7121 | Intermediate Similarity | NPC477981 |
0.7119 | Intermediate Similarity | NPC471619 |
0.7119 | Intermediate Similarity | NPC267817 |
0.7097 | Intermediate Similarity | NPC34883 |
0.7091 | Intermediate Similarity | NPC148056 |
0.7069 | Intermediate Similarity | NPC252860 |
0.7049 | Intermediate Similarity | NPC328776 |
0.7049 | Intermediate Similarity | NPC320305 |
0.7049 | Intermediate Similarity | NPC201939 |
0.7049 | Intermediate Similarity | NPC321838 |
0.7049 | Intermediate Similarity | NPC40082 |
0.7037 | Intermediate Similarity | NPC163345 |
0.7018 | Intermediate Similarity | NPC87394 |
0.7015 | Intermediate Similarity | NPC321017 |
0.7 | Intermediate Similarity | NPC322002 |
0.6981 | Remote Similarity | NPC262558 |
0.6981 | Remote Similarity | NPC8610 |
0.697 | Remote Similarity | NPC67183 |
0.6964 | Remote Similarity | NPC18357 |
0.6964 | Remote Similarity | NPC477779 |
0.6939 | Remote Similarity | NPC3531 |
0.6935 | Remote Similarity | NPC155849 |
0.6912 | Remote Similarity | NPC3753 |
0.6912 | Remote Similarity | NPC103958 |
0.6912 | Remote Similarity | NPC283908 |
0.6912 | Remote Similarity | NPC241854 |
0.6912 | Remote Similarity | NPC237591 |
0.6912 | Remote Similarity | NPC183503 |
0.6912 | Remote Similarity | NPC251970 |
0.6912 | Remote Similarity | NPC55527 |
0.6912 | Remote Similarity | NPC476046 |
0.6912 | Remote Similarity | NPC161923 |
0.6909 | Remote Similarity | NPC27264 |
0.6897 | Remote Similarity | NPC28779 |
0.6897 | Remote Similarity | NPC223677 |
0.6897 | Remote Similarity | NPC200845 |
0.6897 | Remote Similarity | NPC228473 |
0.6897 | Remote Similarity | NPC128061 |
0.6897 | Remote Similarity | NPC10316 |
0.6897 | Remote Similarity | NPC474672 |
0.6875 | Remote Similarity | NPC477982 |
0.6875 | Remote Similarity | NPC100719 |
0.6875 | Remote Similarity | NPC322035 |
0.6875 | Remote Similarity | NPC166791 |
0.6866 | Remote Similarity | NPC160817 |
0.6866 | Remote Similarity | NPC288667 |
0.6842 | Remote Similarity | NPC217188 |
0.6842 | Remote Similarity | NPC71761 |
0.6833 | Remote Similarity | NPC34416 |
0.6825 | Remote Similarity | NPC470320 |
0.6825 | Remote Similarity | NPC328089 |
0.6825 | Remote Similarity | NPC68343 |
0.6812 | Remote Similarity | NPC279666 |
0.6812 | Remote Similarity | NPC68624 |
0.6812 | Remote Similarity | NPC192540 |
0.6812 | Remote Similarity | NPC476844 |
0.6792 | Remote Similarity | NPC165651 |
0.6792 | Remote Similarity | NPC210560 |
0.6792 | Remote Similarity | NPC24824 |
0.6786 | Remote Similarity | NPC470410 |
0.6786 | Remote Similarity | NPC470412 |
0.6786 | Remote Similarity | NPC477777 |
0.678 | Remote Similarity | NPC473936 |
0.6774 | Remote Similarity | NPC113293 |
0.6769 | Remote Similarity | NPC472875 |
0.6765 | Remote Similarity | NPC215745 |
0.6765 | Remote Similarity | NPC238948 |
0.6765 | Remote Similarity | NPC12815 |
0.6735 | Remote Similarity | NPC92863 |
0.6735 | Remote Similarity | NPC155880 |
0.6731 | Remote Similarity | NPC106819 |
0.6727 | Remote Similarity | NPC234597 |
0.6727 | Remote Similarity | NPC207815 |
0.6727 | Remote Similarity | NPC15912 |
0.6721 | Remote Similarity | NPC318306 |
0.6721 | Remote Similarity | NPC278202 |
0.6719 | Remote Similarity | NPC320642 |
0.6719 | Remote Similarity | NPC323045 |
0.6719 | Remote Similarity | NPC318420 |
0.6719 | Remote Similarity | NPC255863 |
0.6719 | Remote Similarity | NPC476654 |
0.6719 | Remote Similarity | NPC136164 |
0.6719 | Remote Similarity | NPC245947 |
0.6719 | Remote Similarity | NPC326268 |
0.6719 | Remote Similarity | NPC476657 |
0.6719 | Remote Similarity | NPC470688 |
0.6719 | Remote Similarity | NPC317881 |
0.6719 | Remote Similarity | NPC476655 |
0.6714 | Remote Similarity | NPC469514 |
0.6714 | Remote Similarity | NPC279537 |
0.6714 | Remote Similarity | NPC470899 |
0.6714 | Remote Similarity | NPC69143 |
0.6667 | Remote Similarity | NPC283502 |
0.6667 | Remote Similarity | NPC22098 |
0.6667 | Remote Similarity | NPC477980 |
0.6667 | Remote Similarity | NPC188596 |
0.6667 | Remote Similarity | NPC276009 |
0.6667 | Remote Similarity | NPC301065 |
0.6667 | Remote Similarity | NPC165808 |
0.6667 | Remote Similarity | NPC195246 |
0.6667 | Remote Similarity | NPC248763 |
0.6667 | Remote Similarity | NPC325452 |
0.6667 | Remote Similarity | NPC308331 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC48162 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 |
---|---|---|---|
0.8936 | High Similarity | NPD4222 | Approved |
0.8776 | High Similarity | NPD3173 | Approved |
0.8542 | High Similarity | NPD39 | Approved |
0.8163 | Intermediate Similarity | NPD3174 | Discontinued |
0.8125 | Intermediate Similarity | NPD5326 | Phase 3 |
0.8113 | Intermediate Similarity | NPD3172 | Approved |
0.7963 | Intermediate Similarity | NPD4266 | Approved |
0.7963 | Intermediate Similarity | NPD3194 | Approved |
0.7963 | Intermediate Similarity | NPD3195 | Phase 2 |
0.7963 | Intermediate Similarity | NPD3196 | Approved |
0.75 | Intermediate Similarity | NPD5343 | Approved |
0.7407 | Intermediate Similarity | NPD29 | Approved |
0.7407 | Intermediate Similarity | NPD28 | Approved |
0.717 | Intermediate Similarity | NPD622 | Approved |
0.7167 | Intermediate Similarity | NPD4246 | Clinical (unspecified phase) |
0.6939 | Remote Similarity | NPD9450 | Approved |
0.6939 | Remote Similarity | NPD77 | Approved |
0.6923 | Remote Similarity | NPD6097 | Approved |
0.6923 | Remote Similarity | NPD6096 | Approved |
0.6833 | Remote Similarity | NPD6109 | Phase 1 |
0.6825 | Remote Similarity | NPD3197 | Phase 1 |
0.6727 | Remote Similarity | NPD4220 | Pre-registration |
0.6528 | Remote Similarity | NPD4268 | Approved |
0.6528 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6528 | Remote Similarity | NPD4271 | Approved |
0.6515 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6491 | Remote Similarity | NPD6927 | Phase 3 |
0.6471 | Remote Similarity | NPD9635 | Discontinued |
0.6364 | Remote Similarity | NPD7331 | Phase 2 |
0.6351 | Remote Similarity | NPD4820 | Approved |
0.6351 | Remote Similarity | NPD5368 | Approved |
0.6351 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6351 | Remote Similarity | NPD4821 | Approved |
0.6351 | Remote Similarity | NPD4822 | Approved |
0.6351 | Remote Similarity | NPD4252 | Approved |
0.6351 | Remote Similarity | NPD4819 | Approved |
0.6301 | Remote Similarity | NPD3732 | Approved |
0.6275 | Remote Similarity | NPD5783 | Phase 3 |
0.6267 | Remote Similarity | NPD5369 | Approved |
0.625 | Remote Similarity | NPD4193 | Approved |
0.625 | Remote Similarity | NPD4192 | Approved |
0.625 | Remote Similarity | NPD4191 | Approved |
0.625 | Remote Similarity | NPD4194 | Approved |
0.6184 | Remote Similarity | NPD4269 | Approved |
0.6184 | Remote Similarity | NPD6435 | Approved |
0.6184 | Remote Similarity | NPD4270 | Approved |
0.6182 | Remote Similarity | NPD4265 | Approved |
0.6182 | Remote Similarity | NPD634 | Phase 3 |
0.6122 | Remote Similarity | NPD9447 | Approved |
0.6111 | Remote Similarity | NPD9411 | Phase 1 |
0.6104 | Remote Similarity | NPD7154 | Phase 3 |
0.6104 | Remote Similarity | NPD5332 | Approved |
0.6104 | Remote Similarity | NPD5331 | Approved |
0.6104 | Remote Similarity | NPD5362 | Discontinued |
0.6053 | Remote Similarity | NPD4790 | Discontinued |
0.597 | Remote Similarity | NPD7341 | Phase 2 |
0.5965 | Remote Similarity | NPD2266 | Phase 2 |
0.5949 | Remote Similarity | NPD5363 | Approved |
0.5909 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.589 | Remote Similarity | NPD8039 | Approved |
0.5882 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5875 | Remote Similarity | NPD4249 | Approved |
0.5875 | Remote Similarity | NPD5786 | Approved |
0.5844 | Remote Similarity | NPD857 | Phase 3 |
0.5833 | Remote Similarity | NPD3186 | Phase 1 |
0.5823 | Remote Similarity | NPD5766 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD342 | Phase 1 |
0.5802 | Remote Similarity | NPD4250 | Approved |
0.5802 | Remote Similarity | NPD4251 | Approved |
0.5741 | Remote Similarity | NPD2270 | Approved |
0.5735 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5733 | Remote Similarity | NPD4756 | Discovery |
0.5663 | Remote Similarity | NPD5370 | Suspended |
0.5663 | Remote Similarity | NPD5347 | Phase 2 |
0.5663 | Remote Similarity | NPD6101 | Approved |
0.5663 | Remote Similarity | NPD5346 | Phase 2 |
0.5663 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD633 | Phase 3 |
0.566 | Remote Similarity | NPD9448 | Phase 2 |
0.5645 | Remote Similarity | NPD8971 | Approved |
0.5645 | Remote Similarity | NPD539 | Approved |
PubChem CID   | 10106262 |
ChEMBL   | CHEMBL442810 |
ZINC   |
Molecular Weight:   | 252.21 |
ALogP:   | 2.0055 |
MLogP:   | 3 |
XLogP:   | 6.477 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 37.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 18 |