Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO15064 | Magnolia denudata | Species | Magnoliaceae | Eukaryota | TM-MC* | |||
NPO1918 | Magnolia kobus | Species | Magnoliaceae | Eukaryota | TM-MC* | |||
NPO15294 | Magnolia salicifolia | Species | Magnoliaceae | Eukaryota | TM-MC* | |||
NPO25197 | Magnolia sprengeri | Species | Magnoliaceae | Eukaryota | TM-MC* | |||
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | TM-MC* | |||
NPO29010 | Amomum compactum | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO12322 | Amomum krervanh | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO1479 | Amomum longiligulare | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO11820 | Amomum villosum | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO1631 | Amomum xanthioides | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO12468 | Asarum heterotropoides | Species | Aristolochiaceae | Eukaryota | TM-MC* | |||
NPO6336 | Asarum sieboldii | Species | Aristolochiaceae | Eukaryota | TM-MC* | |||
NPO4659 | Asiasarum heterotropoides | NA | NA | NA | TM-MC* | |||
NPO29078 | Asiasarum sieboldii | NA | NA | NA | TM-MC* | |||
NPO28260 | Senna alexandrina | Species | Fabaceae | Eukaryota | TM-MC* | |||
NPO28295 | Foeniculum vulgare | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO18811 | Magnolia biondii | Species | Magnoliaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2557 | Organism | Dermatophagoides pteronyssinus | Dermatophagoides pteronyssinus | Ratio | = | 1.6 | 15137830 | |
NPT2525 | Organism | Dermatophagoides farinae | Dermatophagoides farinae | Ratio | = | 2.3 | 15137830 | |
NPT2557 | Organism | Dermatophagoides pteronyssinus | Dermatophagoides pteronyssinus | LD50 | = | 43.2 | mg/m2 | 15137830 |
NPT2525 | Organism | Dermatophagoides farinae | Dermatophagoides farinae | LD50 | = | 38.9 | mg/m2 | 15137830 |
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 NPC247786 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 | NPC258672 |
1.0 | High Similarity | NPC293343 |
0.9778 | High Similarity | NPC294440 |
0.9574 | High Similarity | NPC274182 |
0.9556 | High Similarity | NPC173996 |
0.9556 | High Similarity | NPC40249 |
0.9556 | High Similarity | NPC131981 |
0.8936 | High Similarity | NPC20017 |
0.8723 | High Similarity | NPC98246 |
0.8723 | High Similarity | NPC83187 |
0.8723 | High Similarity | NPC285814 |
0.8113 | Intermediate Similarity | NPC184819 |
0.8036 | Intermediate Similarity | NPC270042 |
0.7963 | Intermediate Similarity | NPC143597 |
0.7963 | Intermediate Similarity | NPC151464 |
0.7963 | Intermediate Similarity | NPC474105 |
0.7925 | Intermediate Similarity | NPC53245 |
0.7925 | Intermediate Similarity | NPC288296 |
0.7778 | Intermediate Similarity | NPC223315 |
0.75 | Intermediate Similarity | NPC18397 |
0.7458 | Intermediate Similarity | NPC472306 |
0.7447 | Intermediate Similarity | NPC59570 |
0.7447 | Intermediate Similarity | NPC135077 |
0.7447 | Intermediate Similarity | NPC215118 |
0.7447 | Intermediate Similarity | NPC45270 |
0.7347 | Intermediate Similarity | NPC171783 |
0.7234 | Intermediate Similarity | NPC141634 |
0.7049 | Intermediate Similarity | NPC128608 |
0.6897 | Remote Similarity | NPC267626 |
0.6897 | Remote Similarity | NPC49575 |
0.6897 | Remote Similarity | NPC55004 |
0.6842 | Remote Similarity | NPC307063 |
0.6842 | Remote Similarity | NPC200258 |
0.6825 | Remote Similarity | NPC43300 |
0.6825 | Remote Similarity | NPC168824 |
0.6825 | Remote Similarity | NPC96812 |
0.6825 | Remote Similarity | NPC39462 |
0.6825 | Remote Similarity | NPC189917 |
0.6825 | Remote Similarity | NPC107704 |
0.6727 | Remote Similarity | NPC236623 |
0.6721 | Remote Similarity | NPC213152 |
0.6716 | Remote Similarity | NPC248567 |
0.6716 | Remote Similarity | NPC52667 |
0.6615 | Remote Similarity | NPC473225 |
0.6615 | Remote Similarity | NPC20610 |
0.6613 | Remote Similarity | NPC165695 |
0.661 | Remote Similarity | NPC230823 |
0.6567 | Remote Similarity | NPC197701 |
0.6562 | Remote Similarity | NPC323005 |
0.6557 | Remote Similarity | NPC25853 |
0.6522 | Remote Similarity | NPC132064 |
0.6515 | Remote Similarity | NPC477857 |
0.6515 | Remote Similarity | NPC474962 |
0.6515 | Remote Similarity | NPC182815 |
0.6508 | Remote Similarity | NPC212210 |
0.65 | Remote Similarity | NPC94991 |
0.65 | Remote Similarity | NPC266295 |
0.65 | Remote Similarity | NPC127798 |
0.65 | Remote Similarity | NPC30215 |
0.6418 | Remote Similarity | NPC35734 |
0.6418 | Remote Similarity | NPC307176 |
0.6418 | Remote Similarity | NPC214770 |
0.6418 | Remote Similarity | NPC40574 |
0.6418 | Remote Similarity | NPC477856 |
0.6418 | Remote Similarity | NPC282593 |
0.6418 | Remote Similarity | NPC108131 |
0.6418 | Remote Similarity | NPC159577 |
0.6393 | Remote Similarity | NPC259261 |
0.6379 | Remote Similarity | NPC319589 |
0.6379 | Remote Similarity | NPC202146 |
0.6379 | Remote Similarity | NPC32222 |
0.6338 | Remote Similarity | NPC169389 |
0.6338 | Remote Similarity | NPC475932 |
0.6338 | Remote Similarity | NPC74685 |
0.6324 | Remote Similarity | NPC110615 |
0.6324 | Remote Similarity | NPC234707 |
0.6324 | Remote Similarity | NPC58057 |
0.6324 | Remote Similarity | NPC305501 |
0.6324 | Remote Similarity | NPC5701 |
0.6324 | Remote Similarity | NPC320549 |
0.6324 | Remote Similarity | NPC151018 |
0.6324 | Remote Similarity | NPC473267 |
0.6324 | Remote Similarity | NPC470078 |
0.6324 | Remote Similarity | NPC223187 |
0.6324 | Remote Similarity | NPC115023 |
0.6324 | Remote Similarity | NPC156277 |
0.6308 | Remote Similarity | NPC42060 |
0.6308 | Remote Similarity | NPC268736 |
0.6308 | Remote Similarity | NPC477931 |
0.629 | Remote Similarity | NPC84218 |
0.6286 | Remote Similarity | NPC155441 |
0.6269 | Remote Similarity | NPC213178 |
0.6269 | Remote Similarity | NPC196197 |
0.6269 | Remote Similarity | NPC139397 |
0.6269 | Remote Similarity | NPC324607 |
0.6269 | Remote Similarity | NPC321732 |
0.6269 | Remote Similarity | NPC131892 |
0.6269 | Remote Similarity | NPC327728 |
0.6269 | Remote Similarity | NPC6120 |
0.625 | Remote Similarity | NPC228911 |
0.625 | Remote Similarity | NPC116906 |
0.625 | Remote Similarity | NPC473902 |
0.6232 | Remote Similarity | NPC474123 |
0.6232 | Remote Similarity | NPC470044 |
0.6232 | Remote Similarity | NPC474228 |
0.6232 | Remote Similarity | NPC310766 |
0.6232 | Remote Similarity | NPC470045 |
0.6232 | Remote Similarity | NPC303613 |
0.6232 | Remote Similarity | NPC251705 |
0.6232 | Remote Similarity | NPC232112 |
0.6222 | Remote Similarity | NPC321646 |
0.6212 | Remote Similarity | NPC474221 |
0.6212 | Remote Similarity | NPC478180 |
0.6212 | Remote Similarity | NPC475523 |
0.6212 | Remote Similarity | NPC130459 |
0.619 | Remote Similarity | NPC475795 |
0.619 | Remote Similarity | NPC60565 |
0.619 | Remote Similarity | NPC83088 |
0.6176 | Remote Similarity | NPC251929 |
0.6176 | Remote Similarity | NPC2634 |
0.6176 | Remote Similarity | NPC265782 |
0.6176 | Remote Similarity | NPC260040 |
0.6176 | Remote Similarity | NPC476731 |
0.617 | Remote Similarity | NPC248190 |
0.6154 | Remote Similarity | NPC157518 |
0.6143 | Remote Similarity | NPC255021 |
0.6143 | Remote Similarity | NPC472854 |
0.6143 | Remote Similarity | NPC159497 |
0.6143 | Remote Similarity | NPC254340 |
0.6122 | Remote Similarity | NPC69245 |
0.6087 | Remote Similarity | NPC472309 |
0.6087 | Remote Similarity | NPC89310 |
0.6087 | Remote Similarity | NPC54123 |
0.6087 | Remote Similarity | NPC126642 |
0.6066 | Remote Similarity | NPC115385 |
0.6066 | Remote Similarity | NPC192427 |
0.6066 | Remote Similarity | NPC150713 |
0.6066 | Remote Similarity | NPC29976 |
0.6061 | Remote Similarity | NPC176171 |
0.6056 | Remote Similarity | NPC255650 |
0.6056 | Remote Similarity | NPC472311 |
0.6056 | Remote Similarity | NPC174964 |
0.6056 | Remote Similarity | NPC97534 |
0.6056 | Remote Similarity | NPC21220 |
0.6056 | Remote Similarity | NPC195155 |
0.6056 | Remote Similarity | NPC273366 |
0.6056 | Remote Similarity | NPC72444 |
0.6056 | Remote Similarity | NPC293803 |
0.6056 | Remote Similarity | NPC125767 |
0.6042 | Remote Similarity | NPC121215 |
0.6038 | Remote Similarity | NPC141777 |
0.6038 | Remote Similarity | NPC166362 |
0.6038 | Remote Similarity | NPC227670 |
0.6032 | Remote Similarity | NPC66145 |
0.6032 | Remote Similarity | NPC127582 |
0.6032 | Remote Similarity | NPC478126 |
0.6029 | Remote Similarity | NPC252032 |
0.6029 | Remote Similarity | NPC469941 |
0.6029 | Remote Similarity | NPC319671 |
0.6029 | Remote Similarity | NPC64466 |
0.6029 | Remote Similarity | NPC476734 |
0.6 | Remote Similarity | NPC469662 |
0.6 | Remote Similarity | NPC79887 |
0.6 | Remote Similarity | NPC285371 |
0.6 | Remote Similarity | NPC475124 |
0.6 | Remote Similarity | NPC196434 |
0.6 | Remote Similarity | NPC42403 |
0.6 | Remote Similarity | NPC221192 |
0.6 | Remote Similarity | NPC222997 |
0.6 | Remote Similarity | NPC6697 |
0.6 | Remote Similarity | NPC29561 |
0.6 | Remote Similarity | NPC4962 |
0.6 | Remote Similarity | NPC153439 |
0.5972 | Remote Similarity | NPC475742 |
0.5972 | Remote Similarity | NPC5767 |
0.5972 | Remote Similarity | NPC69408 |
0.5972 | Remote Similarity | NPC472487 |
0.5972 | Remote Similarity | NPC472486 |
0.5968 | Remote Similarity | NPC27610 |
0.5968 | Remote Similarity | NPC56905 |
0.5946 | Remote Similarity | NPC31302 |
0.5946 | Remote Similarity | NPC245029 |
0.5942 | Remote Similarity | NPC246722 |
0.5942 | Remote Similarity | NPC151045 |
0.5942 | Remote Similarity | NPC477929 |
0.5942 | Remote Similarity | NPC477850 |
0.5938 | Remote Similarity | NPC306750 |
0.5915 | Remote Similarity | NPC474796 |
0.5915 | Remote Similarity | NPC280026 |
0.5915 | Remote Similarity | NPC474797 |
0.5915 | Remote Similarity | NPC167702 |
0.5915 | Remote Similarity | NPC133922 |
0.5915 | Remote Similarity | NPC309852 |
0.5915 | Remote Similarity | NPC329866 |
0.5909 | Remote Similarity | NPC469791 |
0.5902 | Remote Similarity | NPC20603 |
0.589 | Remote Similarity | NPC23884 |
0.589 | Remote Similarity | NPC264602 |
0.589 | Remote Similarity | NPC477918 |
0.589 | Remote Similarity | NPC471151 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC247786 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 |
---|---|---|---|
0.9556 | High Similarity | NPD345 | Approved |
0.9556 | High Similarity | NPD343 | Approved |
0.9556 | High Similarity | NPD344 | Approved |
0.6935 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.6615 | Remote Similarity | NPD5360 | Phase 3 |
0.6615 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.6562 | Remote Similarity | NPD4224 | Phase 2 |
0.6418 | Remote Similarity | NPD4747 | Approved |
0.6418 | Remote Similarity | NPD4789 | Approved |
0.6364 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.6324 | Remote Similarity | NPD6081 | Approved |
0.6324 | Remote Similarity | NPD4758 | Discontinued |
0.6324 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6324 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6269 | Remote Similarity | NPD3698 | Phase 2 |
0.6269 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.6269 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.6269 | Remote Similarity | NPD4137 | Phase 3 |
0.6176 | Remote Similarity | NPD4244 | Approved |
0.6176 | Remote Similarity | NPD4691 | Approved |
0.6176 | Remote Similarity | NPD4245 | Approved |
0.6143 | Remote Similarity | NPD5733 | Approved |
0.6143 | Remote Similarity | NPD4687 | Approved |
0.6087 | Remote Similarity | NPD5777 | Approved |
0.6087 | Remote Similarity | NPD5276 | Approved |
0.5915 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.5915 | Remote Similarity | NPD4058 | Approved |
0.5849 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD3703 | Phase 2 |
0.5833 | Remote Similarity | NPD3702 | Approved |
0.5811 | Remote Similarity | NPD5364 | Discontinued |
0.5753 | Remote Similarity | NPD6117 | Approved |
0.5714 | Remote Similarity | NPD287 | Approved |
0.5676 | Remote Similarity | NPD6116 | Phase 1 |
0.5625 | Remote Similarity | NPD3198 | Approved |
0.56 | Remote Similarity | NPD6115 | Approved |
0.56 | Remote Similarity | NPD3671 | Phase 1 |
0.56 | Remote Similarity | NPD4777 | Suspended |
0.56 | Remote Similarity | NPD6118 | Approved |
0.56 | Remote Similarity | NPD6114 | Approved |
0.56 | Remote Similarity | NPD3617 | Approved |
0.56 | Remote Similarity | NPD6697 | Approved |
0.56 | Remote Similarity | NPD4776 | Phase 2 |
PubChem CID   | 12049113 |
ChEMBL   | CHEMBL2269328 |
ZINC   |
Molecular Weight:   | 152.12 |
ALogP:   | 1.2557 |
MLogP:   | 2.45 |
XLogP:   | 1.507 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 11 |