Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29279 | Aralia elata | Species | Araliaceae | Eukaryota | TCM_Taiwan* | |||
NPO30526 | Notopterygium incisum | NA | NA | NA | TCM_Taiwan* | |||
NPO5111 | Thalictrum acutifolium | Species | Ranunculaceae | Eukaryota | TCM_Taiwan* | |||
NPO18195 | Maydis seigma | NA | NA | NA | TCMSP* | |||
NPO28295 | Foeniculum vulgare | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO27785 | Atalantia buxifolia | Species | Rutaceae | Eukaryota | TCMID* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[23454028] |
||
NPO27785 | Atalantia buxifolia | Species | Rutaceae | Eukaryota | HerDing* | |||
NPO28125 | Ephedra equisetina | Species | Ephedraceae | Eukaryota | TCM_Taiwan* | |||
NPO28211 | Valeriana jatamansii | Species | Caprifoliaceae | Eukaryota | TCM_Taiwan* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 27306 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 1949.4 | 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 NPC28246 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 |
---|---|---|
0.92 | High Similarity | NPC143211 |
0.913 | High Similarity | NPC8187 |
0.88 | High Similarity | NPC166804 |
0.8519 | High Similarity | NPC180423 |
0.84 | Intermediate Similarity | NPC32280 |
0.84 | Intermediate Similarity | NPC41485 |
0.84 | Intermediate Similarity | NPC3693 |
0.8333 | Intermediate Similarity | NPC203105 |
0.8214 | Intermediate Similarity | NPC21374 |
0.8214 | Intermediate Similarity | NPC302611 |
0.8077 | Intermediate Similarity | NPC149209 |
0.8 | Intermediate Similarity | NPC110107 |
0.7931 | Intermediate Similarity | NPC12904 |
0.7778 | Intermediate Similarity | NPC248233 |
0.7667 | Intermediate Similarity | NPC178643 |
0.7667 | Intermediate Similarity | NPC168714 |
0.7667 | Intermediate Similarity | NPC108238 |
0.7667 | Intermediate Similarity | NPC286695 |
0.7667 | Intermediate Similarity | NPC35371 |
0.7667 | Intermediate Similarity | NPC41007 |
0.76 | Intermediate Similarity | NPC23508 |
0.75 | Intermediate Similarity | NPC55956 |
0.75 | Intermediate Similarity | NPC281943 |
0.75 | Intermediate Similarity | NPC317739 |
0.75 | Intermediate Similarity | NPC234005 |
0.7419 | Intermediate Similarity | NPC154396 |
0.7419 | Intermediate Similarity | NPC57499 |
0.7407 | Intermediate Similarity | NPC201132 |
0.7407 | Intermediate Similarity | NPC127134 |
0.7407 | Intermediate Similarity | NPC211250 |
0.7391 | Intermediate Similarity | NPC137050 |
0.7308 | Intermediate Similarity | NPC8368 |
0.7241 | Intermediate Similarity | NPC127696 |
0.7241 | Intermediate Similarity | NPC104195 |
0.7241 | Intermediate Similarity | NPC174368 |
0.7241 | Intermediate Similarity | NPC122768 |
0.7241 | Intermediate Similarity | NPC61066 |
0.7241 | Intermediate Similarity | NPC151140 |
0.7143 | Intermediate Similarity | NPC283626 |
0.7097 | Intermediate Similarity | NPC217218 |
0.7097 | Intermediate Similarity | NPC99700 |
0.7097 | Intermediate Similarity | NPC322892 |
0.7083 | Intermediate Similarity | NPC37493 |
0.7 | Intermediate Similarity | NPC265882 |
0.7 | Intermediate Similarity | NPC198126 |
0.7 | Intermediate Similarity | NPC5934 |
0.697 | Remote Similarity | NPC80641 |
0.697 | Remote Similarity | NPC80396 |
0.697 | Remote Similarity | NPC321699 |
0.697 | Remote Similarity | NPC154642 |
0.6923 | Remote Similarity | NPC208021 |
0.6897 | Remote Similarity | NPC88135 |
0.68 | Remote Similarity | NPC260610 |
0.6786 | Remote Similarity | NPC314668 |
0.6786 | Remote Similarity | NPC230726 |
0.6774 | Remote Similarity | NPC280532 |
0.6774 | Remote Similarity | NPC40965 |
0.6765 | Remote Similarity | NPC206924 |
0.6765 | Remote Similarity | NPC14608 |
0.6667 | Remote Similarity | NPC248139 |
0.6667 | Remote Similarity | NPC289344 |
0.6667 | Remote Similarity | NPC316685 |
0.6667 | Remote Similarity | NPC191084 |
0.6667 | Remote Similarity | NPC155872 |
0.6667 | Remote Similarity | NPC168052 |
0.6667 | Remote Similarity | NPC250870 |
0.6667 | Remote Similarity | NPC292641 |
0.6571 | Remote Similarity | NPC201622 |
0.6571 | Remote Similarity | NPC54980 |
0.6571 | Remote Similarity | NPC22903 |
0.6571 | Remote Similarity | NPC305660 |
0.6562 | Remote Similarity | NPC175342 |
0.6538 | Remote Similarity | NPC37479 |
0.6538 | Remote Similarity | NPC222945 |
0.6538 | Remote Similarity | NPC181153 |
0.6471 | Remote Similarity | NPC5505 |
0.6452 | Remote Similarity | NPC320981 |
0.6429 | Remote Similarity | NPC35155 |
0.6389 | Remote Similarity | NPC80234 |
0.6389 | Remote Similarity | NPC31551 |
0.6389 | Remote Similarity | NPC219536 |
0.6389 | Remote Similarity | NPC94368 |
0.6389 | Remote Similarity | NPC81263 |
0.6364 | Remote Similarity | NPC127142 |
0.6364 | Remote Similarity | NPC140229 |
0.6364 | Remote Similarity | NPC286498 |
0.6364 | Remote Similarity | NPC7814 |
0.6364 | Remote Similarity | NPC307027 |
0.6333 | Remote Similarity | NPC159398 |
0.6333 | Remote Similarity | NPC236709 |
0.6296 | Remote Similarity | NPC2419 |
0.6296 | Remote Similarity | NPC33928 |
0.6296 | Remote Similarity | NPC185768 |
0.625 | Remote Similarity | NPC281883 |
0.625 | Remote Similarity | NPC228727 |
0.6216 | Remote Similarity | NPC161097 |
0.6216 | Remote Similarity | NPC28598 |
0.6216 | Remote Similarity | NPC149299 |
0.6216 | Remote Similarity | NPC40597 |
0.6216 | Remote Similarity | NPC250028 |
0.6216 | Remote Similarity | NPC256163 |
0.6176 | Remote Similarity | NPC223374 |
0.6176 | Remote Similarity | NPC196442 |
0.6176 | Remote Similarity | NPC156630 |
0.6176 | Remote Similarity | NPC86545 |
0.6176 | Remote Similarity | NPC325165 |
0.6176 | Remote Similarity | NPC317203 |
0.6176 | Remote Similarity | NPC301398 |
0.6154 | Remote Similarity | NPC141986 |
0.6129 | Remote Similarity | NPC312003 |
0.6129 | Remote Similarity | NPC232172 |
0.6071 | Remote Similarity | NPC164646 |
0.6071 | Remote Similarity | NPC30338 |
0.6061 | Remote Similarity | NPC125575 |
0.6061 | Remote Similarity | NPC328710 |
0.6061 | Remote Similarity | NPC18224 |
0.6053 | Remote Similarity | NPC53541 |
0.6 | Remote Similarity | NPC155263 |
0.6 | Remote Similarity | NPC68873 |
0.6 | Remote Similarity | NPC211453 |
0.6 | Remote Similarity | NPC229838 |
0.6 | Remote Similarity | NPC24967 |
0.6 | Remote Similarity | NPC65353 |
0.6 | Remote Similarity | NPC103612 |
0.6 | Remote Similarity | NPC171188 |
0.6 | Remote Similarity | NPC283245 |
0.5946 | Remote Similarity | NPC223249 |
0.5946 | Remote Similarity | NPC222792 |
0.5946 | Remote Similarity | NPC316217 |
0.5926 | Remote Similarity | NPC32603 |
0.5897 | Remote Similarity | NPC236579 |
0.5897 | Remote Similarity | NPC203531 |
0.5897 | Remote Similarity | NPC176500 |
0.5882 | Remote Similarity | NPC63354 |
0.5862 | Remote Similarity | NPC304927 |
0.5862 | Remote Similarity | NPC289974 |
0.5833 | Remote Similarity | NPC128996 |
0.5833 | Remote Similarity | NPC158179 |
0.5833 | Remote Similarity | NPC252843 |
0.5833 | Remote Similarity | NPC109026 |
0.5806 | Remote Similarity | NPC231957 |
0.5789 | Remote Similarity | NPC165533 |
0.5789 | Remote Similarity | NPC12156 |
0.5769 | Remote Similarity | NPC173862 |
0.5769 | Remote Similarity | NPC147212 |
0.5758 | Remote Similarity | NPC328569 |
0.5758 | Remote Similarity | NPC212144 |
0.5714 | Remote Similarity | NPC133819 |
0.5676 | Remote Similarity | NPC325454 |
0.5676 | Remote Similarity | NPC316546 |
0.5676 | Remote Similarity | NPC38930 |
0.5676 | Remote Similarity | NPC73245 |
0.5667 | Remote Similarity | NPC79591 |
0.5667 | Remote Similarity | NPC286233 |
0.5667 | Remote Similarity | NPC59581 |
0.561 | Remote Similarity | NPC47363 |
0.561 | Remote Similarity | NPC273545 |
0.561 | Remote Similarity | NPC287231 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC28246 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 |
---|---|---|---|
0.8696 | High Similarity | NPD8616 | Clinical (unspecified phase) |
0.8696 | High Similarity | NPD8615 | Phase 2 |
0.7778 | Intermediate Similarity | NPD8990 | Clinical (unspecified phase) |
0.7419 | Intermediate Similarity | NPD900 | Approved |
0.7407 | Intermediate Similarity | NPD8989 | Approved |
0.7391 | Intermediate Similarity | NPD8200 | Phase 2 |
0.7143 | Intermediate Similarity | NPD106 | Approved |
0.7037 | Intermediate Similarity | NPD8591 | Approved |
0.7037 | Intermediate Similarity | NPD8592 | Approved |
0.7 | Intermediate Similarity | NPD8856 | Phase 2 |
0.7 | Intermediate Similarity | NPD8618 | Approved |
0.6667 | Remote Similarity | NPD8617 | Approved |
0.6667 | Remote Similarity | NPD62 | Approved |
0.6667 | Remote Similarity | NPD8619 | Approved |
0.6538 | Remote Similarity | NPD8201 | Phase 2 |
0.6452 | Remote Similarity | NPD8590 | Approved |
0.6429 | Remote Similarity | NPD8188 | Approved |
0.6364 | Remote Similarity | NPD8857 | Approved |
0.6333 | Remote Similarity | NPD8594 | Approved |
0.6333 | Remote Similarity | NPD8593 | Approved |
0.625 | Remote Similarity | NPD9636 | Phase 2 |
0.6176 | Remote Similarity | NPD9136 | Clinical (unspecified phase) |
0.6176 | Remote Similarity | NPD9447 | Approved |
0.6129 | Remote Similarity | NPD9191 | Approved |
0.6087 | Remote Similarity | NPD49 | Approved |
0.6087 | Remote Similarity | NPD7365 | Approved |
0.6087 | Remote Similarity | NPD47 | Approved |
0.6087 | Remote Similarity | NPD50 | Approved |
0.6087 | Remote Similarity | NPD7362 | Approved |
0.6087 | Remote Similarity | NPD48 | Approved |
0.6087 | Remote Similarity | NPD7363 | Approved |
0.6087 | Remote Similarity | NPD105 | Approved |
0.6 | Remote Similarity | NPD7364 | Approved |
0.5926 | Remote Similarity | NPD8190 | Phase 2 |
0.5833 | Remote Similarity | NPD9131 | Discovery |
0.5833 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD8595 | Approved |
0.5676 | Remote Similarity | NPD3206 | Approved |
0.5667 | Remote Similarity | NPD8189 | Approved |
0.561 | Remote Similarity | NPD6096 | Approved |
0.561 | Remote Similarity | NPD2699 | Approved |
0.561 | Remote Similarity | NPD6097 | Approved |
0.561 | Remote Similarity | NPD377 | Approved |
PubChem CID   | 12180 |
ChEMBL   | CHEMBL15859 |
ZINC   |
Molecular Weight:   | 102.07 |
ALogP:   | -0.1907 |
MLogP:   | 1.79 |
XLogP:   | 1.063 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |