Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO15315 | Boswellia carterii | Species | Burseraceae | Eukaryota | HerDing* | |||
NPO15373 | Actaea dahurica | Species | Ranunculaceae | Eukaryota | TM-MC* | |||
NPO15890 | Actaea cimicifuga | Species | Ranunculaceae | Eukaryota | TM-MC* | |||
NPO389 | Actaea heracleifolia | Species | Ranunculaceae | Eukaryota | TM-MC* | |||
NPO2727 | Actaea simplex | Species | Ranunculaceae | Eukaryota | TM-MC* | |||
NPO19048 | Pinellia ternata | Species | Araceae | Eukaryota | TM-MC* | |||
NPO15315 | Boswellia carterii | Species | Burseraceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT173 | Organism | Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | > | 125 | ug/ml | 26898336 |
NPT720 | Organism | Enterobacter aerogenes | Enterobacter aerogenes | MIC | > | 125 | ug/ml | 26898336 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 125 | ug/ml | 26898336 |
NPT17 | Organism | Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | > | 125 | ug/ml | 26898336 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | > | 125 | ug/ml | 26898336 |
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 NPC171783 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 |
---|---|---|
0.8333 | Intermediate Similarity | NPC135077 |
0.8333 | Intermediate Similarity | NPC45270 |
0.8333 | Intermediate Similarity | NPC59570 |
0.8333 | Intermediate Similarity | NPC215118 |
0.7755 | Intermediate Similarity | NPC236623 |
0.7755 | Intermediate Similarity | NPC274182 |
0.7674 | Intermediate Similarity | NPC141634 |
0.75 | Intermediate Similarity | NPC294440 |
0.7442 | Intermediate Similarity | NPC223315 |
0.7347 | Intermediate Similarity | NPC258672 |
0.7347 | Intermediate Similarity | NPC247786 |
0.7347 | Intermediate Similarity | NPC293343 |
0.7308 | Intermediate Similarity | NPC288296 |
0.7308 | Intermediate Similarity | NPC53245 |
0.7292 | Intermediate Similarity | NPC98246 |
0.7292 | Intermediate Similarity | NPC173996 |
0.7292 | Intermediate Similarity | NPC83187 |
0.7292 | Intermediate Similarity | NPC131981 |
0.7292 | Intermediate Similarity | NPC285814 |
0.7292 | Intermediate Similarity | NPC40249 |
0.7174 | Intermediate Similarity | NPC18397 |
0.717 | Intermediate Similarity | NPC307063 |
0.717 | Intermediate Similarity | NPC200258 |
0.717 | Intermediate Similarity | NPC184819 |
0.7143 | Intermediate Similarity | NPC20017 |
0.7037 | Intermediate Similarity | NPC151464 |
0.7037 | Intermediate Similarity | NPC474105 |
0.7037 | Intermediate Similarity | NPC143597 |
0.6909 | Remote Similarity | NPC192427 |
0.6863 | Remote Similarity | NPC116906 |
0.6786 | Remote Similarity | NPC127798 |
0.678 | Remote Similarity | NPC475124 |
0.6607 | Remote Similarity | NPC115385 |
0.6585 | Remote Similarity | NPC321646 |
0.6552 | Remote Similarity | NPC270042 |
0.6552 | Remote Similarity | NPC127582 |
0.65 | Remote Similarity | NPC6697 |
0.6491 | Remote Similarity | NPC308108 |
0.6491 | Remote Similarity | NPC170799 |
0.6491 | Remote Similarity | NPC27610 |
0.6491 | Remote Similarity | NPC56905 |
0.6444 | Remote Similarity | NPC69245 |
0.6441 | Remote Similarity | NPC60565 |
0.6379 | Remote Similarity | NPC285594 |
0.6379 | Remote Similarity | NPC96551 |
0.6341 | Remote Similarity | NPC42403 |
0.6341 | Remote Similarity | NPC221192 |
0.6341 | Remote Similarity | NPC196434 |
0.6341 | Remote Similarity | NPC29561 |
0.6341 | Remote Similarity | NPC79887 |
0.6341 | Remote Similarity | NPC153439 |
0.6341 | Remote Similarity | NPC222997 |
0.6341 | Remote Similarity | NPC4962 |
0.6333 | Remote Similarity | NPC202118 |
0.6333 | Remote Similarity | NPC472306 |
0.6333 | Remote Similarity | NPC197238 |
0.6271 | Remote Similarity | NPC478126 |
0.625 | Remote Similarity | NPC100997 |
0.623 | Remote Similarity | NPC128608 |
0.623 | Remote Similarity | NPC469662 |
0.623 | Remote Similarity | NPC285371 |
0.619 | Remote Similarity | NPC168982 |
0.6167 | Remote Similarity | NPC213152 |
0.6167 | Remote Similarity | NPC253204 |
0.6136 | Remote Similarity | NPC248190 |
0.6129 | Remote Similarity | NPC469791 |
0.6102 | Remote Similarity | NPC276764 |
0.6102 | Remote Similarity | NPC472304 |
0.6098 | Remote Similarity | NPC198118 |
0.6098 | Remote Similarity | NPC295442 |
0.6098 | Remote Similarity | NPC38859 |
0.6047 | Remote Similarity | NPC76608 |
0.6047 | Remote Similarity | NPC16578 |
0.6047 | Remote Similarity | NPC268596 |
0.6047 | Remote Similarity | NPC225318 |
0.6047 | Remote Similarity | NPC149101 |
0.6034 | Remote Similarity | NPC49575 |
0.6034 | Remote Similarity | NPC55004 |
0.6034 | Remote Similarity | NPC267626 |
0.6034 | Remote Similarity | NPC230823 |
0.6032 | Remote Similarity | NPC168824 |
0.6032 | Remote Similarity | NPC43300 |
0.6032 | Remote Similarity | NPC107704 |
0.6032 | Remote Similarity | NPC103734 |
0.6032 | Remote Similarity | NPC96812 |
0.6032 | Remote Similarity | NPC323005 |
0.6032 | Remote Similarity | NPC189917 |
0.6032 | Remote Similarity | NPC39462 |
0.6 | Remote Similarity | NPC121215 |
0.6 | Remote Similarity | NPC218357 |
0.6 | Remote Similarity | NPC22182 |
0.5968 | Remote Similarity | NPC212210 |
0.5962 | Remote Similarity | NPC14917 |
0.5962 | Remote Similarity | NPC4079 |
0.5962 | Remote Similarity | NPC236355 |
0.5952 | Remote Similarity | NPC158107 |
0.5938 | Remote Similarity | NPC220210 |
0.5938 | Remote Similarity | NPC20181 |
0.5938 | Remote Similarity | NPC472984 |
0.5938 | Remote Similarity | NPC263161 |
0.5932 | Remote Similarity | NPC94991 |
0.5932 | Remote Similarity | NPC30215 |
0.5932 | Remote Similarity | NPC266295 |
0.5902 | Remote Similarity | NPC306750 |
0.5873 | Remote Similarity | NPC19311 |
0.5873 | Remote Similarity | NPC230047 |
0.5849 | Remote Similarity | NPC13105 |
0.5846 | Remote Similarity | NPC100917 |
0.5846 | Remote Similarity | NPC82477 |
0.5846 | Remote Similarity | NPC310992 |
0.5846 | Remote Similarity | NPC474954 |
0.5846 | Remote Similarity | NPC142754 |
0.5846 | Remote Similarity | NPC20610 |
0.5846 | Remote Similarity | NPC31187 |
0.5846 | Remote Similarity | NPC473225 |
0.5846 | Remote Similarity | NPC469724 |
0.5846 | Remote Similarity | NPC2568 |
0.5846 | Remote Similarity | NPC103647 |
0.5846 | Remote Similarity | NPC260319 |
0.5846 | Remote Similarity | NPC155198 |
0.5846 | Remote Similarity | NPC281203 |
0.5846 | Remote Similarity | NPC260474 |
0.5846 | Remote Similarity | NPC180777 |
0.5846 | Remote Similarity | NPC475977 |
0.5846 | Remote Similarity | NPC39157 |
0.5846 | Remote Similarity | NPC470956 |
0.5846 | Remote Similarity | NPC188292 |
0.5846 | Remote Similarity | NPC296697 |
0.5833 | Remote Similarity | NPC259261 |
0.5818 | Remote Similarity | NPC27438 |
0.5806 | Remote Similarity | NPC288253 |
0.5806 | Remote Similarity | NPC165695 |
0.5789 | Remote Similarity | NPC63396 |
0.5789 | Remote Similarity | NPC202850 |
0.5789 | Remote Similarity | NPC250539 |
0.5789 | Remote Similarity | NPC319589 |
0.5781 | Remote Similarity | NPC84562 |
0.5769 | Remote Similarity | NPC314679 |
0.5758 | Remote Similarity | NPC324607 |
0.5758 | Remote Similarity | NPC131892 |
0.5758 | Remote Similarity | NPC474962 |
0.5758 | Remote Similarity | NPC139397 |
0.5758 | Remote Similarity | NPC182815 |
0.5758 | Remote Similarity | NPC213178 |
0.5758 | Remote Similarity | NPC321732 |
0.5758 | Remote Similarity | NPC327728 |
0.5758 | Remote Similarity | NPC286814 |
0.5758 | Remote Similarity | NPC6120 |
0.5758 | Remote Similarity | NPC477857 |
0.575 | Remote Similarity | NPC307594 |
0.575 | Remote Similarity | NPC227197 |
0.575 | Remote Similarity | NPC66624 |
0.575 | Remote Similarity | NPC129976 |
0.5741 | Remote Similarity | NPC294858 |
0.5738 | Remote Similarity | NPC40206 |
0.5738 | Remote Similarity | NPC25853 |
0.5714 | Remote Similarity | NPC227632 |
0.5714 | Remote Similarity | NPC62086 |
0.5714 | Remote Similarity | NPC78551 |
0.5692 | Remote Similarity | NPC329466 |
0.5692 | Remote Similarity | NPC475523 |
0.5692 | Remote Similarity | NPC328304 |
0.5692 | Remote Similarity | NPC469868 |
0.5692 | Remote Similarity | NPC41542 |
0.5672 | Remote Similarity | NPC265782 |
0.5672 | Remote Similarity | NPC260040 |
0.5672 | Remote Similarity | NPC214770 |
0.5672 | Remote Similarity | NPC40574 |
0.5672 | Remote Similarity | NPC108131 |
0.5672 | Remote Similarity | NPC2634 |
0.5672 | Remote Similarity | NPC307176 |
0.5672 | Remote Similarity | NPC163020 |
0.5672 | Remote Similarity | NPC477856 |
0.5672 | Remote Similarity | NPC251929 |
0.5672 | Remote Similarity | NPC35734 |
0.5672 | Remote Similarity | NPC476731 |
0.5672 | Remote Similarity | NPC282593 |
0.5672 | Remote Similarity | NPC159577 |
0.5667 | Remote Similarity | NPC311852 |
0.566 | Remote Similarity | NPC14552 |
0.5645 | Remote Similarity | NPC475795 |
0.5625 | Remote Similarity | NPC251118 |
0.5625 | Remote Similarity | NPC268039 |
0.5625 | Remote Similarity | NPC470329 |
0.5614 | Remote Similarity | NPC268564 |
0.5614 | Remote Similarity | NPC474141 |
0.561 | Remote Similarity | NPC79591 |
0.5606 | Remote Similarity | NPC87141 |
0.5606 | Remote Similarity | NPC478228 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC171783 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 |
---|---|---|---|
0.7292 | Intermediate Similarity | NPD343 | Approved |
0.7292 | Intermediate Similarity | NPD345 | Approved |
0.7292 | Intermediate Similarity | NPD344 | Approved |
0.6491 | Remote Similarity | NPD287 | Approved |
0.6129 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.6122 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.6032 | Remote Similarity | NPD4224 | Phase 2 |
0.5846 | Remote Similarity | NPD5360 | Phase 3 |
0.5846 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.5846 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.5769 | Remote Similarity | NPD634 | Phase 3 |
0.5758 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD3698 | Phase 2 |
0.5758 | Remote Similarity | NPD4137 | Phase 3 |
0.5758 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5745 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5672 | Remote Similarity | NPD4244 | Approved |
0.5672 | Remote Similarity | NPD4691 | Approved |
0.5672 | Remote Similarity | NPD4245 | Approved |
0.5672 | Remote Similarity | NPD4789 | Approved |
0.5672 | Remote Similarity | NPD4747 | Approved |
0.5652 | Remote Similarity | NPD9447 | Approved |
PubChem CID   | 10313167 |
ChEMBL   | CHEMBL3782017 |
ZINC   |
Molecular Weight:   | 138.10 |
ALogP:   | 0.5524 |
MLogP:   | 2.34 |
XLogP:   | 1.926 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 10 |