Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO5242 | Sideritis argyrea | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO7985 | Swertia tosaensis | Species | Gentianaceae | Eukaryota | UNPD* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[22932811] |
||
NPO362 | Gentiana crassicaulis | Species | Gentianaceae | Eukaryota | UNPD* | |||
NPO1442 | Viburnum dilatatum | Species | Adoxaceae | Eukaryota | UNPD* | |||
NPO3490 | Aragoa cundinamarcensis | Species | Plantaginaceae | Eukaryota | UNPD* | |||
NPO5046 | Lisianthus chelonoides | NA | NA | NA | UNPD* | |||
NPO8729 | Symplegma rubra | Species | Styelidae | Eukaryota | UNPD* | |||
NPO6384 | Euryops spathaceus | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO5407 | Polypodium pedatum | Species | Polypodiidae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1315 | Individual Protein | Adenosine A1 receptor | Rattus norvegicus | Inhibition | = | 24 | % | 8230124 |
NPT2554 | Protein Family | Adenosine A2 receptor | Rattus norvegicus | Ki | = | 59000 | nM | 8230124 |
NPT217 | Individual Protein | Adenosine A2a receptor | Homo sapiens | EC50 | > | 100000 | nM | 1331453 |
NPT2811 | Individual Protein | Adenosine A1 receptor | Cavia porcellus | EC15 | > | 0.1 | nM | 1331453 |
NPT2560 | Protein Family | Phosphodiesterase 4 | Homo sapiens | Ki | = | 156000 | nM | 1331453 |
NPT2812 | Protein Family | Adenosine A2 receptor | Homo sapiens | Ki | = | 133000 | nM | 1331453 |
NPT1315 | Individual Protein | Adenosine A1 receptor | Rattus norvegicus | Ki | = | 35000 | nM | 2724296 |
NPT2812 | Protein Family | Adenosine A2 receptor | Homo sapiens | Ki | = | 240000 | nM | 2724296 |
NPT55 | Individual Protein | Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | = | 15811.4 | nM | PubChem BioAssay data set |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 95.53 | % | 23571415 |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 101.53 | % | 23571415 |
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 NPC41958 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 |
---|---|---|
0.9223 | High Similarity | NPC59314 |
0.9048 | High Similarity | NPC119133 |
0.8932 | High Similarity | NPC293163 |
0.8679 | High Similarity | NPC10466 |
0.8381 | Intermediate Similarity | NPC320256 |
0.8158 | Intermediate Similarity | NPC313547 |
0.8091 | Intermediate Similarity | NPC476099 |
0.7815 | Intermediate Similarity | NPC327579 |
0.7797 | Intermediate Similarity | NPC278549 |
0.7768 | Intermediate Similarity | NPC476562 |
0.7593 | Intermediate Similarity | NPC51000 |
0.7589 | Intermediate Similarity | NPC476561 |
0.7377 | Intermediate Similarity | NPC252603 |
0.7344 | Intermediate Similarity | NPC287876 |
0.7333 | Intermediate Similarity | NPC148385 |
0.7266 | Intermediate Similarity | NPC14330 |
0.725 | Intermediate Similarity | NPC199790 |
0.7049 | Intermediate Similarity | NPC63433 |
0.7016 | Intermediate Similarity | NPC158847 |
0.7 | Intermediate Similarity | NPC47936 |
0.6992 | Remote Similarity | NPC262926 |
0.694 | Remote Similarity | NPC61198 |
0.6935 | Remote Similarity | NPC240084 |
0.686 | Remote Similarity | NPC312187 |
0.686 | Remote Similarity | NPC4837 |
0.6822 | Remote Similarity | NPC248007 |
0.6723 | Remote Similarity | NPC18335 |
0.6716 | Remote Similarity | NPC324009 |
0.6694 | Remote Similarity | NPC327613 |
0.6694 | Remote Similarity | NPC75131 |
0.6692 | Remote Similarity | NPC246193 |
0.6691 | Remote Similarity | NPC186619 |
0.6667 | Remote Similarity | NPC5707 |
0.6667 | Remote Similarity | NPC319221 |
0.6615 | Remote Similarity | NPC109322 |
0.6613 | Remote Similarity | NPC256849 |
0.6609 | Remote Similarity | NPC9639 |
0.6607 | Remote Similarity | NPC290449 |
0.6596 | Remote Similarity | NPC318590 |
0.6596 | Remote Similarity | NPC251233 |
0.6596 | Remote Similarity | NPC211820 |
0.6593 | Remote Similarity | NPC57279 |
0.6591 | Remote Similarity | NPC144223 |
0.6589 | Remote Similarity | NPC139776 |
0.6565 | Remote Similarity | NPC180493 |
0.6549 | Remote Similarity | NPC317746 |
0.6549 | Remote Similarity | NPC177169 |
0.6549 | Remote Similarity | NPC274384 |
0.6549 | Remote Similarity | NPC89147 |
0.6503 | Remote Similarity | NPC232408 |
0.6503 | Remote Similarity | NPC64705 |
0.648 | Remote Similarity | NPC303899 |
0.6449 | Remote Similarity | NPC320818 |
0.6446 | Remote Similarity | NPC476564 |
0.6408 | Remote Similarity | NPC8590 |
0.6333 | Remote Similarity | NPC87981 |
0.6333 | Remote Similarity | NPC174114 |
0.6316 | Remote Similarity | NPC15566 |
0.626 | Remote Similarity | NPC155498 |
0.6241 | Remote Similarity | NPC30326 |
0.6204 | Remote Similarity | NPC243319 |
0.6181 | Remote Similarity | NPC315642 |
0.6181 | Remote Similarity | NPC74306 |
0.6154 | Remote Similarity | NPC68938 |
0.6154 | Remote Similarity | NPC189314 |
0.6148 | Remote Similarity | NPC273327 |
0.6098 | Remote Similarity | NPC111132 |
0.6026 | Remote Similarity | NPC321052 |
0.5985 | Remote Similarity | NPC180462 |
0.5971 | Remote Similarity | NPC104011 |
0.5931 | Remote Similarity | NPC317821 |
0.5931 | Remote Similarity | NPC185903 |
0.5929 | Remote Similarity | NPC235501 |
0.5924 | Remote Similarity | NPC14590 |
0.5844 | Remote Similarity | NPC60537 |
0.5833 | Remote Similarity | NPC18223 |
0.5833 | Remote Similarity | NPC237812 |
0.5822 | Remote Similarity | NPC286696 |
0.5806 | Remote Similarity | NPC187191 |
0.5806 | Remote Similarity | NPC326248 |
0.5753 | Remote Similarity | NPC129756 |
0.5733 | Remote Similarity | NPC189068 |
0.5704 | Remote Similarity | NPC25465 |
0.5695 | Remote Similarity | NPC219313 |
0.5695 | Remote Similarity | NPC309832 |
0.5686 | Remote Similarity | NPC150853 |
0.5685 | Remote Similarity | NPC33996 |
0.5667 | Remote Similarity | NPC21448 |
0.5667 | Remote Similarity | NPC156461 |
0.5667 | Remote Similarity | NPC107374 |
0.5646 | Remote Similarity | NPC210947 |
0.5638 | Remote Similarity | NPC229974 |
0.5629 | Remote Similarity | NPC327477 |
0.5629 | Remote Similarity | NPC164665 |
0.5621 | Remote Similarity | NPC136349 |
0.5608 | Remote Similarity | NPC209525 |
0.5608 | Remote Similarity | NPC161659 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC41958 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 |
---|---|---|---|
0.9537 | High Similarity | NPD9360 | Approved |
0.9223 | High Similarity | NPD8837 | Clinical (unspecified phase) |
0.9048 | High Similarity | NPD9291 | Approved |
0.8673 | High Similarity | NPD237 | Clinical (unspecified phase) |
0.8142 | Intermediate Similarity | NPD9375 | Discontinued |
0.8087 | Intermediate Similarity | NPD9374 | Approved |
0.7913 | Intermediate Similarity | NPD9373 | Approved |
0.7815 | Intermediate Similarity | NPD9607 | Approved |
0.7815 | Intermediate Similarity | NPD307 | Approved |
0.775 | Intermediate Similarity | NPD9409 | Discontinued |
0.7731 | Intermediate Similarity | NPD9606 | Approved |
0.7593 | Intermediate Similarity | NPD8838 | Approved |
0.7578 | Intermediate Similarity | NPD209 | Clinical (unspecified phase) |
0.7456 | Intermediate Similarity | NPD9626 | Clinical (unspecified phase) |
0.7381 | Intermediate Similarity | NPD515 | Phase 1 |
0.7377 | Intermediate Similarity | NPD9292 | Approved |
0.7377 | Intermediate Similarity | NPD9288 | Approved |
0.7377 | Intermediate Similarity | NPD9289 | Approved |
0.7377 | Intermediate Similarity | NPD76 | Approved |
0.7344 | Intermediate Similarity | NPD8829 | Clinical (unspecified phase) |
0.7328 | Intermediate Similarity | NPD1120 | Approved |
0.7328 | Intermediate Similarity | NPD1121 | Approved |
0.7218 | Intermediate Similarity | NPD1808 | Phase 1 |
0.7176 | Intermediate Similarity | NPD9083 | Clinical (unspecified phase) |
0.7099 | Intermediate Similarity | NPD545 | Clinical (unspecified phase) |
0.7099 | Intermediate Similarity | NPD547 | Clinical (unspecified phase) |
0.7087 | Intermediate Similarity | NPD579 | Clinical (unspecified phase) |
0.7059 | Intermediate Similarity | NPD1430 | Approved |
0.7059 | Intermediate Similarity | NPD1431 | Approved |
0.7049 | Intermediate Similarity | NPD9086 | Approved |
0.7 | Intermediate Similarity | NPD8954 | Approved |
0.7 | Intermediate Similarity | NPD8955 | Approved |
0.6992 | Remote Similarity | NPD194 | Clinical (unspecified phase) |
0.694 | Remote Similarity | NPD252 | Clinical (unspecified phase) |
0.6822 | Remote Similarity | NPD9084 | Phase 2 |
0.6739 | Remote Similarity | NPD549 | Approved |
0.6723 | Remote Similarity | NPD8836 | Approved |
0.6667 | Remote Similarity | NPD8830 | Phase 3 |
0.6643 | Remote Similarity | NPD1117 | Clinical (unspecified phase) |
0.6621 | Remote Similarity | NPD7842 | Phase 2 |
0.6614 | Remote Similarity | NPD578 | Discontinued |
0.6613 | Remote Similarity | NPD9358 | Approved |
0.6613 | Remote Similarity | NPD9359 | Approved |
0.6567 | Remote Similarity | NPD9632 | Phase 3 |
0.6565 | Remote Similarity | NPD78 | Approved |
0.6565 | Remote Similarity | NPD9544 | Approved |
0.6519 | Remote Similarity | NPD282 | Approved |
0.6515 | Remote Similarity | NPD281 | Approved |
0.6512 | Remote Similarity | NPD9290 | Approved |
0.6418 | Remote Similarity | NPD1127 | Approved |
0.6418 | Remote Similarity | NPD1128 | Approved |
0.6414 | Remote Similarity | NPD775 | Approved |
0.6372 | Remote Similarity | NPD9103 | Approved |
0.6372 | Remote Similarity | NPD9102 | Approved |
0.6364 | Remote Similarity | NPD340 | Approved |
0.6364 | Remote Similarity | NPD341 | Approved |
0.6341 | Remote Similarity | NPD1816 | Clinical (unspecified phase) |
0.6308 | Remote Similarity | NPD580 | Discontinued |
0.6284 | Remote Similarity | NPD3086 | Phase 3 |
0.6276 | Remote Similarity | NPD1730 | Discontinued |
0.625 | Remote Similarity | NPD9584 | Phase 2 |
0.6233 | Remote Similarity | NPD7531 | Clinical (unspecified phase) |
0.6216 | Remote Similarity | NPD3085 | Phase 1 |
0.6212 | Remote Similarity | NPD2221 | Clinical (unspecified phase) |
0.6204 | Remote Similarity | NPD9081 | Clinical (unspecified phase) |
0.6184 | Remote Similarity | NPD2604 | Approved |
0.6181 | Remote Similarity | NPD582 | Approved |
0.6154 | Remote Similarity | NPD1368 | Approved |
0.6154 | Remote Similarity | NPD1118 | Discontinued |
0.6154 | Remote Similarity | NPD8833 | Approved |
0.6154 | Remote Similarity | NPD8831 | Approved |
0.6119 | Remote Similarity | NPD798 | Discontinued |
0.6103 | Remote Similarity | NPD300 | Approved |
0.6098 | Remote Similarity | NPD8861 | Approved |
0.6098 | Remote Similarity | NPD8862 | Approved |
0.6098 | Remote Similarity | NPD8859 | Approved |
0.6058 | Remote Similarity | NPD870 | Clinical (unspecified phase) |
0.6039 | Remote Similarity | NPD4074 | Clinical (unspecified phase) |
0.6029 | Remote Similarity | NPD4812 | Phase 1 |
0.6029 | Remote Similarity | NPD9408 | Phase 3 |
0.6028 | Remote Similarity | NPD1119 | Phase 2 |
0.6014 | Remote Similarity | NPD9633 | Phase 3 |
0.5987 | Remote Similarity | NPD1731 | Clinical (unspecified phase) |
0.5985 | Remote Similarity | NPD1775 | Approved |
0.5985 | Remote Similarity | NPD1085 | Approved |
0.5966 | Remote Similarity | NPD9101 | Discontinued |
0.5929 | Remote Similarity | NPD9650 | Phase 3 |
0.5915 | Remote Similarity | NPD9484 | Clinical (unspecified phase) |
0.5878 | Remote Similarity | NPD757 | Phase 3 |
0.5874 | Remote Similarity | NPD535 | Approved |
0.5857 | Remote Similarity | NPD248 | Discontinued |
0.5844 | Remote Similarity | NPD2180 | Approved |
0.5833 | Remote Similarity | NPD9133 | Approved |
0.5823 | Remote Similarity | NPD5768 | Phase 2 |
0.5817 | Remote Similarity | NPD536 | Clinical (unspecified phase) |
0.5809 | Remote Similarity | NPD4262 | Discontinued |
0.5789 | Remote Similarity | NPD3708 | Phase 2 |
0.5782 | Remote Similarity | NPD2253 | Discontinued |
0.5772 | Remote Similarity | NPD9627 | Approved |
0.5769 | Remote Similarity | NPD3405 | Phase 3 |
0.5752 | Remote Similarity | NPD353 | Discontinued |
0.5743 | Remote Similarity | NPD1451 | Approved |
0.5743 | Remote Similarity | NPD2179 | Discontinued |
0.5734 | Remote Similarity | NPD5340 | Clinical (unspecified phase) |
0.5724 | Remote Similarity | NPD9628 | Approved |
0.5723 | Remote Similarity | NPD3130 | Discontinued |
0.5714 | Remote Similarity | NPD1356 | Approved |
0.5714 | Remote Similarity | NPD1355 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD1354 | Approved |
0.5705 | Remote Similarity | NPD5342 | Clinical (unspecified phase) |
0.5697 | Remote Similarity | NPD3108 | Clinical (unspecified phase) |
0.5669 | Remote Similarity | NPD2624 | Phase 2 |
0.5667 | Remote Similarity | NPD250 | Approved |
0.5667 | Remote Similarity | NPD249 | Approved |
0.5638 | Remote Similarity | NPD9183 | Clinical (unspecified phase) |
0.563 | Remote Similarity | NPD8835 | Approved |
0.5621 | Remote Similarity | NPD548 | Clinical (unspecified phase) |
0.5617 | Remote Similarity | NPD705 | Clinical (unspecified phase) |
0.5608 | Remote Similarity | NPD3696 | Approved |
0.5608 | Remote Similarity | NPD3695 | Approved |
0.56 | Remote Similarity | NPD9704 | Approved |
0.56 | Remote Similarity | NPD3706 | Clinical (unspecified phase) |
Molecular Weight:   | 166.05 |
ALogP:   | -1.1623 |
MLogP:   | 1.46 |
XLogP:   | -0.671 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 81.58 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 2 |
# Rings:   | 2 |
# Heavy Atoms:   | 12 |