Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29705 | Viticis fructus | Species | Curculionidae | Eukaryota | TCMSP* | |||
NPO18840 | Platycladi cacumen | NA | NA | NA | TCMSP* | |||
NPO13103 | Radix angelicae biseratae | Species | Lymnaeidae | Eukaryota | TCMSP* | |||
NPO11762 | Agrimonia eupatoria | Species | Rosaceae | Eukaryota | TCMSP* | |||
NPO29556 | Piperis longi fructus | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT603 | Individual Protein | Olfactory receptor 5K1 | Homo sapiens | Inhibition | >= | 50 | % | Patent: WO2013171535 A3 |
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 NPC84218 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 |
---|---|---|
0.8525 | High Similarity | NPC83088 |
0.8197 | Intermediate Similarity | NPC9880 |
0.8197 | Intermediate Similarity | NPC87828 |
0.8197 | Intermediate Similarity | NPC230070 |
0.8065 | Intermediate Similarity | NPC66145 |
0.7714 | Intermediate Similarity | NPC474524 |
0.7714 | Intermediate Similarity | NPC475517 |
0.7681 | Intermediate Similarity | NPC197701 |
0.7397 | Intermediate Similarity | NPC474404 |
0.7397 | Intermediate Similarity | NPC171658 |
0.7377 | Intermediate Similarity | NPC32222 |
0.7377 | Intermediate Similarity | NPC202146 |
0.7361 | Intermediate Similarity | NPC155441 |
0.7324 | Intermediate Similarity | NPC248567 |
0.7297 | Intermediate Similarity | NPC471045 |
0.7273 | Intermediate Similarity | NPC69953 |
0.7273 | Intermediate Similarity | NPC29342 |
0.7273 | Intermediate Similarity | NPC2572 |
0.7237 | Intermediate Similarity | NPC472229 |
0.7237 | Intermediate Similarity | NPC472230 |
0.7231 | Intermediate Similarity | NPC478126 |
0.7222 | Intermediate Similarity | NPC272359 |
0.7222 | Intermediate Similarity | NPC472944 |
0.7222 | Intermediate Similarity | NPC472945 |
0.7206 | Intermediate Similarity | NPC84562 |
0.72 | Intermediate Similarity | NPC476176 |
0.7143 | Intermediate Similarity | NPC196197 |
0.7143 | Intermediate Similarity | NPC3025 |
0.7123 | Intermediate Similarity | NPC186851 |
0.7105 | Intermediate Similarity | NPC474714 |
0.7105 | Intermediate Similarity | NPC472853 |
0.7067 | Intermediate Similarity | NPC199965 |
0.7067 | Intermediate Similarity | NPC476732 |
0.7059 | Intermediate Similarity | NPC474768 |
0.7042 | Intermediate Similarity | NPC168596 |
0.7042 | Intermediate Similarity | NPC94632 |
0.7 | Intermediate Similarity | NPC131365 |
0.7 | Intermediate Similarity | NPC64862 |
0.6974 | Remote Similarity | NPC118987 |
0.6974 | Remote Similarity | NPC477287 |
0.697 | Remote Similarity | NPC204173 |
0.6957 | Remote Similarity | NPC268736 |
0.6957 | Remote Similarity | NPC477931 |
0.6957 | Remote Similarity | NPC42060 |
0.6944 | Remote Similarity | NPC469940 |
0.6933 | Remote Similarity | NPC169389 |
0.6933 | Remote Similarity | NPC180199 |
0.6933 | Remote Similarity | NPC212453 |
0.6933 | Remote Similarity | NPC475932 |
0.6933 | Remote Similarity | NPC477919 |
0.6923 | Remote Similarity | NPC477936 |
0.6923 | Remote Similarity | NPC477935 |
0.6914 | Remote Similarity | NPC5943 |
0.6892 | Remote Similarity | NPC478105 |
0.6892 | Remote Similarity | NPC72444 |
0.6885 | Remote Similarity | NPC274261 |
0.6885 | Remote Similarity | NPC291724 |
0.6883 | Remote Similarity | NPC170038 |
0.6866 | Remote Similarity | NPC306750 |
0.6857 | Remote Similarity | NPC476928 |
0.6857 | Remote Similarity | NPC474221 |
0.6857 | Remote Similarity | NPC130459 |
0.6857 | Remote Similarity | NPC478180 |
0.6835 | Remote Similarity | NPC259173 |
0.6829 | Remote Similarity | NPC33398 |
0.6812 | Remote Similarity | NPC475943 |
0.6812 | Remote Similarity | NPC243469 |
0.6812 | Remote Similarity | NPC190827 |
0.6806 | Remote Similarity | NPC108131 |
0.6806 | Remote Similarity | NPC477929 |
0.6795 | Remote Similarity | NPC58631 |
0.6795 | Remote Similarity | NPC190940 |
0.6795 | Remote Similarity | NPC232625 |
0.6769 | Remote Similarity | NPC29976 |
0.6769 | Remote Similarity | NPC150713 |
0.6753 | Remote Similarity | NPC220379 |
0.6711 | Remote Similarity | NPC477918 |
0.6711 | Remote Similarity | NPC471151 |
0.6709 | Remote Similarity | NPC102156 |
0.6709 | Remote Similarity | NPC477284 |
0.6709 | Remote Similarity | NPC477286 |
0.6709 | Remote Similarity | NPC164289 |
0.6709 | Remote Similarity | NPC311642 |
0.6709 | Remote Similarity | NPC148740 |
0.6709 | Remote Similarity | NPC286719 |
0.6709 | Remote Similarity | NPC13494 |
0.6709 | Remote Similarity | NPC242771 |
0.6709 | Remote Similarity | NPC100366 |
0.6667 | Remote Similarity | NPC252032 |
0.6667 | Remote Similarity | NPC206735 |
0.6667 | Remote Similarity | NPC132064 |
0.6667 | Remote Similarity | NPC476734 |
0.6667 | Remote Similarity | NPC64466 |
0.6667 | Remote Similarity | NPC1882 |
0.6667 | Remote Similarity | NPC266651 |
0.6667 | Remote Similarity | NPC128608 |
0.6667 | Remote Similarity | NPC477934 |
0.6667 | Remote Similarity | NPC469941 |
0.6667 | Remote Similarity | NPC22301 |
0.6667 | Remote Similarity | NPC319671 |
0.6667 | Remote Similarity | NPC162685 |
0.6667 | Remote Similarity | NPC474962 |
0.6625 | Remote Similarity | NPC477285 |
0.6625 | Remote Similarity | NPC111582 |
0.6625 | Remote Similarity | NPC472847 |
0.6622 | Remote Similarity | NPC474123 |
0.6622 | Remote Similarity | NPC109510 |
0.662 | Remote Similarity | NPC41542 |
0.662 | Remote Similarity | NPC63190 |
0.662 | Remote Similarity | NPC469868 |
0.6613 | Remote Similarity | NPC274182 |
0.6582 | Remote Similarity | NPC73515 |
0.6579 | Remote Similarity | NPC477932 |
0.6579 | Remote Similarity | NPC471046 |
0.6579 | Remote Similarity | NPC472472 |
0.6579 | Remote Similarity | NPC477933 |
0.6575 | Remote Similarity | NPC477850 |
0.6571 | Remote Similarity | NPC19311 |
0.6571 | Remote Similarity | NPC230047 |
0.6567 | Remote Similarity | NPC95958 |
0.6548 | Remote Similarity | NPC472234 |
0.6548 | Remote Similarity | NPC472233 |
0.6543 | Remote Similarity | NPC291310 |
0.6538 | Remote Similarity | NPC44083 |
0.6538 | Remote Similarity | NPC153987 |
0.6538 | Remote Similarity | NPC47808 |
0.6538 | Remote Similarity | NPC305835 |
0.6533 | Remote Similarity | NPC280026 |
0.6533 | Remote Similarity | NPC167702 |
0.6533 | Remote Similarity | NPC55508 |
0.6533 | Remote Similarity | NPC477508 |
0.6533 | Remote Similarity | NPC472854 |
0.6528 | Remote Similarity | NPC474756 |
0.6528 | Remote Similarity | NPC473225 |
0.6522 | Remote Similarity | NPC236099 |
0.6522 | Remote Similarity | NPC249078 |
0.6522 | Remote Similarity | NPC209686 |
0.6512 | Remote Similarity | NPC472238 |
0.6512 | Remote Similarity | NPC472237 |
0.65 | Remote Similarity | NPC258153 |
0.65 | Remote Similarity | NPC60018 |
0.65 | Remote Similarity | NPC154043 |
0.65 | Remote Similarity | NPC24556 |
0.65 | Remote Similarity | NPC202688 |
0.65 | Remote Similarity | NPC476458 |
0.6494 | Remote Similarity | NPC66105 |
0.6494 | Remote Similarity | NPC74685 |
0.6486 | Remote Similarity | NPC478227 |
0.6486 | Remote Similarity | NPC472309 |
0.6462 | Remote Similarity | NPC89069 |
0.6462 | Remote Similarity | NPC166894 |
0.6462 | Remote Similarity | NPC283655 |
0.6462 | Remote Similarity | NPC277917 |
0.6462 | Remote Similarity | NPC178223 |
0.6456 | Remote Similarity | NPC66766 |
0.6456 | Remote Similarity | NPC304194 |
0.6456 | Remote Similarity | NPC117137 |
0.6456 | Remote Similarity | NPC80622 |
0.6456 | Remote Similarity | NPC261616 |
0.6447 | Remote Similarity | NPC476424 |
0.6447 | Remote Similarity | NPC139765 |
0.6447 | Remote Similarity | NPC472311 |
0.6447 | Remote Similarity | NPC212733 |
0.6447 | Remote Similarity | NPC24014 |
0.6447 | Remote Similarity | NPC27349 |
0.6447 | Remote Similarity | NPC131584 |
0.6438 | Remote Similarity | NPC321732 |
0.6438 | Remote Similarity | NPC98711 |
0.6438 | Remote Similarity | NPC295788 |
0.6438 | Remote Similarity | NPC178541 |
0.6438 | Remote Similarity | NPC324607 |
0.6437 | Remote Similarity | NPC39453 |
0.6429 | Remote Similarity | NPC167995 |
0.6429 | Remote Similarity | NPC118937 |
0.6429 | Remote Similarity | NPC28227 |
0.6429 | Remote Similarity | NPC159654 |
0.6429 | Remote Similarity | NPC281540 |
0.642 | Remote Similarity | NPC170862 |
0.642 | Remote Similarity | NPC477852 |
0.6418 | Remote Similarity | NPC132998 |
0.6418 | Remote Similarity | NPC476735 |
0.641 | Remote Similarity | NPC321690 |
0.641 | Remote Similarity | NPC63020 |
0.64 | Remote Similarity | NPC279241 |
0.64 | Remote Similarity | NPC310766 |
0.6395 | Remote Similarity | NPC150383 |
0.6395 | Remote Similarity | NPC473066 |
0.6386 | Remote Similarity | NPC155531 |
0.6386 | Remote Similarity | NPC80590 |
0.6386 | Remote Similarity | NPC103782 |
0.6386 | Remote Similarity | NPC114378 |
0.6386 | Remote Similarity | NPC92139 |
0.6386 | Remote Similarity | NPC215968 |
0.6386 | Remote Similarity | NPC477283 |
0.6377 | Remote Similarity | NPC95804 |
0.6377 | Remote Similarity | NPC185547 |
0.6375 | Remote Similarity | NPC472471 |
0.6375 | Remote Similarity | NPC77311 |
0.6364 | Remote Similarity | NPC470145 |
0.6364 | Remote Similarity | NPC4209 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC84218 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 |
---|---|---|---|
0.7606 | Intermediate Similarity | NPD3702 | Approved |
0.7429 | Intermediate Similarity | NPD5777 | Approved |
0.6957 | Remote Similarity | NPD4224 | Phase 2 |
0.6712 | Remote Similarity | NPD6081 | Approved |
0.6585 | Remote Similarity | NPD6098 | Approved |
0.6571 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.6533 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6528 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.6528 | Remote Similarity | NPD5360 | Phase 3 |
0.6471 | Remote Similarity | NPD5207 | Approved |
0.6438 | Remote Similarity | NPD3698 | Phase 2 |
0.6429 | Remote Similarity | NPD5208 | Approved |
0.6429 | Remote Similarity | NPD6903 | Approved |
0.6364 | Remote Similarity | NPD6117 | Approved |
0.6353 | Remote Similarity | NPD6673 | Approved |
0.6353 | Remote Similarity | NPD6080 | Approved |
0.6353 | Remote Similarity | NPD6051 | Approved |
0.6353 | Remote Similarity | NPD6904 | Approved |
0.6351 | Remote Similarity | NPD4244 | Approved |
0.6351 | Remote Similarity | NPD4245 | Approved |
0.6351 | Remote Similarity | NPD4787 | Phase 1 |
0.6282 | Remote Similarity | NPD6116 | Phase 1 |
0.6279 | Remote Similarity | NPD5692 | Phase 3 |
0.6267 | Remote Similarity | NPD4758 | Discontinued |
0.625 | Remote Similarity | NPD6928 | Phase 2 |
0.625 | Remote Similarity | NPD6001 | Approved |
0.6207 | Remote Similarity | NPD5694 | Approved |
0.6207 | Remote Similarity | NPD5693 | Phase 1 |
0.6207 | Remote Similarity | NPD6050 | Approved |
0.6203 | Remote Similarity | NPD6118 | Approved |
0.6203 | Remote Similarity | NPD6114 | Approved |
0.6203 | Remote Similarity | NPD6115 | Approved |
0.6203 | Remote Similarity | NPD6697 | Approved |
0.619 | Remote Similarity | NPD5330 | Approved |
0.619 | Remote Similarity | NPD7334 | Approved |
0.619 | Remote Similarity | NPD6409 | Approved |
0.619 | Remote Similarity | NPD7146 | Approved |
0.619 | Remote Similarity | NPD6684 | Approved |
0.619 | Remote Similarity | NPD7521 | Approved |
0.618 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.6133 | Remote Similarity | NPD4789 | Approved |
0.6125 | Remote Similarity | NPD4195 | Approved |
0.6087 | Remote Similarity | NPD3198 | Approved |
0.6067 | Remote Similarity | NPD5707 | Approved |
0.6053 | Remote Similarity | NPD4243 | Approved |
0.6053 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6053 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6047 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5654 | Approved |
0.6 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5695 | Phase 3 |
0.6 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD367 | Approved |
0.5976 | Remote Similarity | NPD4139 | Approved |
0.5976 | Remote Similarity | NPD4692 | Approved |
0.5968 | Remote Similarity | NPD345 | Approved |
0.5968 | Remote Similarity | NPD343 | Approved |
0.5968 | Remote Similarity | NPD344 | Approved |
0.5904 | Remote Similarity | NPD4221 | Approved |
0.5904 | Remote Similarity | NPD4223 | Phase 3 |
0.5897 | Remote Similarity | NPD4785 | Approved |
0.5897 | Remote Similarity | NPD4784 | Approved |
0.5882 | Remote Similarity | NPD586 | Phase 1 |
0.587 | Remote Similarity | NPD6083 | Phase 2 |
0.587 | Remote Similarity | NPD6084 | Phase 2 |
0.587 | Remote Similarity | NPD5959 | Approved |
0.5862 | Remote Similarity | NPD6672 | Approved |
0.5862 | Remote Similarity | NPD5737 | Approved |
0.5843 | Remote Similarity | NPD5281 | Approved |
0.5843 | Remote Similarity | NPD5284 | Approved |
0.5833 | Remote Similarity | NPD4788 | Approved |
0.5823 | Remote Similarity | NPD4190 | Phase 3 |
0.5823 | Remote Similarity | NPD5275 | Approved |
0.5821 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD388 | Approved |
0.5806 | Remote Similarity | NPD386 | Approved |
0.5806 | Remote Similarity | NPD5696 | Approved |
0.5802 | Remote Similarity | NPD5364 | Discontinued |
0.5765 | Remote Similarity | NPD4197 | Approved |
0.5729 | Remote Similarity | NPD6052 | Approved |
0.5698 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5698 | Remote Similarity | NPD5329 | Approved |
0.5684 | Remote Similarity | NPD1700 | Approved |
0.5667 | Remote Similarity | NPD8034 | Phase 2 |
0.5667 | Remote Similarity | NPD8035 | Phase 2 |
0.5663 | Remote Similarity | NPD4748 | Discontinued |
0.5658 | Remote Similarity | NPD6705 | Phase 1 |
0.5657 | Remote Similarity | NPD7320 | Approved |
0.5632 | Remote Similarity | NPD5205 | Approved |
0.5632 | Remote Similarity | NPD4693 | Phase 3 |
0.5632 | Remote Similarity | NPD4138 | Approved |
0.5632 | Remote Similarity | NPD5280 | Approved |
0.5632 | Remote Similarity | NPD4694 | Approved |
0.5632 | Remote Similarity | NPD5690 | Phase 2 |
0.5632 | Remote Similarity | NPD4689 | Approved |
0.5632 | Remote Similarity | NPD4688 | Approved |
0.5632 | Remote Similarity | NPD4690 | Approved |
0.5625 | Remote Similarity | NPD3703 | Phase 2 |
0.5612 | Remote Similarity | NPD6008 | Approved |
0.561 | Remote Similarity | NPD4238 | Approved |
0.561 | Remote Similarity | NPD4802 | Phase 2 |
0.5604 | Remote Similarity | NPD6399 | Phase 3 |
PubChem CID   | 54146524 |
ChEMBL   | CHEMBL3727698 |
ZINC   |
Molecular Weight:   | 264.21 |
ALogP:   | 1.7364 |
MLogP:   | 3.11 |
XLogP:   | 5.705 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 3 |
# Heavy Atoms:   | 19 |