Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO13552 | Glaucium squamigerum | Species | Papaveraceae | Eukaryota | UNPD* | |||
NPO6375 | Xylocopa virginica | Species | Apidae | Eukaryota | UNPD* | |||
NPO1128 | Hoodia gordonii | Species | Apocynaceae | Eukaryota | UNPD* | |||
NPO10000 | Rehmanniae radix praeparata | NA | NA | NA | TCMSP* | |||
NPO8101 | Rehmannia glutinosa | Species | Orobanchaceae | Eukaryota | TM-MC* | |||
NPO6080 | Ericerus pela | Species | Coccidae | Eukaryota | TCMID* | |||
NPO17717 | Clerodendrum thomsoniae | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO8101 | Rehmannia glutinosa | Species | Orobanchaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT179 | Cell Line | A2780 | Homo sapiens | IC50 | > | 10000 | nM | 26859776 |
NPT2 | Others | Unspecified | IC50 | > | 10000 | nM | 26859776 | |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | > | 10000 | nM | 26859776 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10000 | nM | 26859776 |
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 NPC280390 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 |
---|---|---|
0.907 | High Similarity | NPC136699 |
0.907 | High Similarity | NPC220167 |
0.8469 | Intermediate Similarity | NPC197541 |
0.8469 | Intermediate Similarity | NPC267869 |
0.8469 | Intermediate Similarity | NPC234304 |
0.8469 | Intermediate Similarity | NPC284929 |
0.8469 | Intermediate Similarity | NPC118761 |
0.837 | Intermediate Similarity | NPC104129 |
0.837 | Intermediate Similarity | NPC249408 |
0.8367 | Intermediate Similarity | NPC222062 |
0.8333 | Intermediate Similarity | NPC470658 |
0.8265 | Intermediate Similarity | NPC20673 |
0.82 | Intermediate Similarity | NPC86095 |
0.8163 | Intermediate Similarity | NPC244878 |
0.8163 | Intermediate Similarity | NPC255677 |
0.8163 | Intermediate Similarity | NPC22149 |
0.8163 | Intermediate Similarity | NPC306344 |
0.8081 | Intermediate Similarity | NPC28304 |
0.8081 | Intermediate Similarity | NPC298255 |
0.8065 | Intermediate Similarity | NPC248312 |
0.8061 | Intermediate Similarity | NPC151093 |
0.8041 | Intermediate Similarity | NPC241911 |
0.8 | Intermediate Similarity | NPC276298 |
0.8 | Intermediate Similarity | NPC250545 |
0.8 | Intermediate Similarity | NPC13171 |
0.8 | Intermediate Similarity | NPC195510 |
0.7931 | Intermediate Similarity | NPC229655 |
0.79 | Intermediate Similarity | NPC4637 |
0.79 | Intermediate Similarity | NPC219038 |
0.79 | Intermediate Similarity | NPC98859 |
0.7895 | Intermediate Similarity | NPC327253 |
0.7849 | Intermediate Similarity | NPC149018 |
0.7849 | Intermediate Similarity | NPC171484 |
0.7826 | Intermediate Similarity | NPC259296 |
0.7826 | Intermediate Similarity | NPC98276 |
0.7822 | Intermediate Similarity | NPC471599 |
0.7822 | Intermediate Similarity | NPC310804 |
0.7822 | Intermediate Similarity | NPC261117 |
0.7802 | Intermediate Similarity | NPC20072 |
0.7766 | Intermediate Similarity | NPC125142 |
0.7755 | Intermediate Similarity | NPC101051 |
0.7732 | Intermediate Similarity | NPC320552 |
0.7732 | Intermediate Similarity | NPC61201 |
0.7708 | Intermediate Similarity | NPC307699 |
0.7629 | Intermediate Similarity | NPC274274 |
0.7629 | Intermediate Similarity | NPC472125 |
0.7629 | Intermediate Similarity | NPC294643 |
0.7629 | Intermediate Similarity | NPC473150 |
0.7629 | Intermediate Similarity | NPC472126 |
0.7629 | Intermediate Similarity | NPC472124 |
0.7604 | Intermediate Similarity | NPC93190 |
0.7604 | Intermediate Similarity | NPC50464 |
0.7604 | Intermediate Similarity | NPC22918 |
0.76 | Intermediate Similarity | NPC470684 |
0.76 | Intermediate Similarity | NPC470683 |
0.7586 | Intermediate Similarity | NPC132938 |
0.7579 | Intermediate Similarity | NPC258501 |
0.7576 | Intermediate Similarity | NPC469543 |
0.7576 | Intermediate Similarity | NPC170204 |
0.7568 | Intermediate Similarity | NPC219656 |
0.7524 | Intermediate Similarity | NPC254538 |
0.7524 | Intermediate Similarity | NPC474285 |
0.7524 | Intermediate Similarity | NPC33053 |
0.75 | Intermediate Similarity | NPC148534 |
0.7456 | Intermediate Similarity | NPC219804 |
0.7447 | Intermediate Similarity | NPC266718 |
0.7434 | Intermediate Similarity | NPC233500 |
0.7423 | Intermediate Similarity | NPC477748 |
0.7423 | Intermediate Similarity | NPC299527 |
0.7404 | Intermediate Similarity | NPC197736 |
0.74 | Intermediate Similarity | NPC291709 |
0.74 | Intermediate Similarity | NPC241407 |
0.7391 | Intermediate Similarity | NPC127295 |
0.7391 | Intermediate Similarity | NPC163362 |
0.7391 | Intermediate Similarity | NPC100697 |
0.7379 | Intermediate Similarity | NPC21568 |
0.7379 | Intermediate Similarity | NPC285231 |
0.7374 | Intermediate Similarity | NPC91654 |
0.7374 | Intermediate Similarity | NPC67398 |
0.7374 | Intermediate Similarity | NPC474792 |
0.7368 | Intermediate Similarity | NPC196130 |
0.7353 | Intermediate Similarity | NPC90819 |
0.7353 | Intermediate Similarity | NPC124181 |
0.7353 | Intermediate Similarity | NPC40182 |
0.7353 | Intermediate Similarity | NPC198422 |
0.7347 | Intermediate Similarity | NPC6414 |
0.7347 | Intermediate Similarity | NPC117596 |
0.7347 | Intermediate Similarity | NPC202886 |
0.7347 | Intermediate Similarity | NPC303451 |
0.7339 | Intermediate Similarity | NPC216595 |
0.7339 | Intermediate Similarity | NPC473567 |
0.7333 | Intermediate Similarity | NPC93352 |
0.7303 | Intermediate Similarity | NPC472174 |
0.729 | Intermediate Similarity | NPC472897 |
0.729 | Intermediate Similarity | NPC472896 |
0.7282 | Intermediate Similarity | NPC469942 |
0.7273 | Intermediate Similarity | NPC477749 |
0.7273 | Intermediate Similarity | NPC302584 |
0.7264 | Intermediate Similarity | NPC472900 |
0.7264 | Intermediate Similarity | NPC472899 |
0.7264 | Intermediate Similarity | NPC472898 |
0.7263 | Intermediate Similarity | NPC475035 |
0.7255 | Intermediate Similarity | NPC153559 |
0.7248 | Intermediate Similarity | NPC472987 |
0.7248 | Intermediate Similarity | NPC473021 |
0.7245 | Intermediate Similarity | NPC309310 |
0.7228 | Intermediate Similarity | NPC6765 |
0.7228 | Intermediate Similarity | NPC93869 |
0.7222 | Intermediate Similarity | NPC472901 |
0.7216 | Intermediate Similarity | NPC475037 |
0.7212 | Intermediate Similarity | NPC470434 |
0.72 | Intermediate Similarity | NPC238090 |
0.72 | Intermediate Similarity | NPC472195 |
0.72 | Intermediate Similarity | NPC472196 |
0.7196 | Intermediate Similarity | NPC231340 |
0.7184 | Intermediate Similarity | NPC473307 |
0.7172 | Intermediate Similarity | NPC270908 |
0.7172 | Intermediate Similarity | NPC65665 |
0.7172 | Intermediate Similarity | NPC216826 |
0.7172 | Intermediate Similarity | NPC231710 |
0.7172 | Intermediate Similarity | NPC120021 |
0.7172 | Intermediate Similarity | NPC470573 |
0.717 | Intermediate Similarity | NPC75608 |
0.7159 | Intermediate Similarity | NPC474078 |
0.7157 | Intermediate Similarity | NPC90583 |
0.7156 | Intermediate Similarity | NPC191439 |
0.7156 | Intermediate Similarity | NPC170974 |
0.7156 | Intermediate Similarity | NPC103627 |
0.7156 | Intermediate Similarity | NPC65155 |
0.7156 | Intermediate Similarity | NPC141433 |
0.7143 | Intermediate Similarity | NPC148965 |
0.7143 | Intermediate Similarity | NPC272015 |
0.7143 | Intermediate Similarity | NPC201191 |
0.713 | Intermediate Similarity | NPC235824 |
0.7129 | Intermediate Similarity | NPC294293 |
0.7129 | Intermediate Similarity | NPC159698 |
0.7129 | Intermediate Similarity | NPC256368 |
0.7129 | Intermediate Similarity | NPC274588 |
0.7117 | Intermediate Similarity | NPC469348 |
0.7117 | Intermediate Similarity | NPC51154 |
0.7117 | Intermediate Similarity | NPC469347 |
0.7117 | Intermediate Similarity | NPC307642 |
0.7115 | Intermediate Similarity | NPC64348 |
0.7103 | Intermediate Similarity | NPC474569 |
0.71 | Intermediate Similarity | NPC9447 |
0.7091 | Intermediate Similarity | NPC13190 |
0.7087 | Intermediate Similarity | NPC125551 |
0.7087 | Intermediate Similarity | NPC96597 |
0.7087 | Intermediate Similarity | NPC155319 |
0.7087 | Intermediate Similarity | NPC472290 |
0.7087 | Intermediate Similarity | NPC240372 |
0.7087 | Intermediate Similarity | NPC91197 |
0.7087 | Intermediate Similarity | NPC309503 |
0.7087 | Intermediate Similarity | NPC239547 |
0.7075 | Intermediate Similarity | NPC473198 |
0.7064 | Intermediate Similarity | NPC473318 |
0.7064 | Intermediate Similarity | NPC473328 |
0.7064 | Intermediate Similarity | NPC250089 |
0.7064 | Intermediate Similarity | NPC28844 |
0.7064 | Intermediate Similarity | NPC14630 |
0.7064 | Intermediate Similarity | NPC157530 |
0.7048 | Intermediate Similarity | NPC280991 |
0.7048 | Intermediate Similarity | NPC475157 |
0.7048 | Intermediate Similarity | NPC216911 |
0.7048 | Intermediate Similarity | NPC471637 |
0.7048 | Intermediate Similarity | NPC154132 |
0.7048 | Intermediate Similarity | NPC57586 |
0.7048 | Intermediate Similarity | NPC2313 |
0.7048 | Intermediate Similarity | NPC154127 |
0.7048 | Intermediate Similarity | NPC475655 |
0.7041 | Intermediate Similarity | NPC118077 |
0.7041 | Intermediate Similarity | NPC475186 |
0.7041 | Intermediate Similarity | NPC471055 |
0.7041 | Intermediate Similarity | NPC471056 |
0.7034 | Intermediate Similarity | NPC179261 |
0.7027 | Intermediate Similarity | NPC112274 |
0.7027 | Intermediate Similarity | NPC231797 |
0.7027 | Intermediate Similarity | NPC475354 |
0.7027 | Intermediate Similarity | NPC42171 |
0.7019 | Intermediate Similarity | NPC169468 |
0.7019 | Intermediate Similarity | NPC81483 |
0.7019 | Intermediate Similarity | NPC61630 |
0.7019 | Intermediate Similarity | NPC312325 |
0.7019 | Intermediate Similarity | NPC307517 |
0.7019 | Intermediate Similarity | NPC158088 |
0.7018 | Intermediate Similarity | NPC472080 |
0.701 | Intermediate Similarity | NPC477746 |
0.701 | Intermediate Similarity | NPC475034 |
0.701 | Intermediate Similarity | NPC470124 |
0.701 | Intermediate Similarity | NPC477747 |
0.701 | Intermediate Similarity | NPC471494 |
0.701 | Intermediate Similarity | NPC73166 |
0.7009 | Intermediate Similarity | NPC470885 |
0.7009 | Intermediate Similarity | NPC187400 |
0.7009 | Intermediate Similarity | NPC221562 |
0.7 | Intermediate Similarity | NPC472717 |
0.7 | Intermediate Similarity | NPC118078 |
0.699 | Remote Similarity | NPC161293 |
0.699 | Remote Similarity | NPC54731 |
0.699 | Remote Similarity | NPC207617 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC280390 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 |
---|---|---|---|
0.713 | Intermediate Similarity | NPD7503 | Approved |
0.6937 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6857 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6838 | Remote Similarity | NPD8033 | Approved |
0.6838 | Remote Similarity | NPD8513 | Phase 3 |
0.6752 | Remote Similarity | NPD8377 | Approved |
0.6752 | Remote Similarity | NPD8294 | Approved |
0.6724 | Remote Similarity | NPD7327 | Approved |
0.6724 | Remote Similarity | NPD7328 | Approved |
0.6695 | Remote Similarity | NPD8515 | Approved |
0.6695 | Remote Similarity | NPD8379 | Approved |
0.6695 | Remote Similarity | NPD8516 | Approved |
0.6695 | Remote Similarity | NPD8517 | Approved |
0.6695 | Remote Similarity | NPD8380 | Approved |
0.6695 | Remote Similarity | NPD8296 | Approved |
0.6695 | Remote Similarity | NPD8335 | Approved |
0.6695 | Remote Similarity | NPD8378 | Approved |
0.6667 | Remote Similarity | NPD7516 | Approved |
0.6667 | Remote Similarity | NPD6686 | Approved |
0.6373 | Remote Similarity | NPD4250 | Approved |
0.6373 | Remote Similarity | NPD4251 | Approved |
0.6373 | Remote Similarity | NPD7524 | Approved |
0.6346 | Remote Similarity | NPD6698 | Approved |
0.6346 | Remote Similarity | NPD46 | Approved |
0.6341 | Remote Similarity | NPD7507 | Approved |
0.6327 | Remote Similarity | NPD7332 | Phase 2 |
0.6283 | Remote Similarity | NPD6412 | Phase 2 |
0.6275 | Remote Similarity | NPD4249 | Approved |
0.6239 | Remote Similarity | NPD8133 | Approved |
0.6238 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6238 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD7319 | Approved |
0.619 | Remote Similarity | NPD7838 | Discovery |
0.6162 | Remote Similarity | NPD7514 | Phase 3 |
0.616 | Remote Similarity | NPD8074 | Phase 3 |
0.6154 | Remote Similarity | NPD6053 | Discontinued |
0.6139 | Remote Similarity | NPD6695 | Phase 3 |
0.6139 | Remote Similarity | NPD7154 | Phase 3 |
0.6126 | Remote Similarity | NPD5344 | Discontinued |
0.6038 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5983 | Remote Similarity | NPD6371 | Approved |
0.5981 | Remote Similarity | NPD7637 | Suspended |
0.5981 | Remote Similarity | NPD7983 | Approved |
0.598 | Remote Similarity | NPD6110 | Phase 1 |
0.596 | Remote Similarity | NPD7145 | Approved |
0.596 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.5941 | Remote Similarity | NPD6898 | Phase 1 |
0.5941 | Remote Similarity | NPD6902 | Approved |
0.5913 | Remote Similarity | NPD6640 | Phase 3 |
0.5905 | Remote Similarity | NPD7750 | Discontinued |
0.5859 | Remote Similarity | NPD6932 | Approved |
0.5859 | Remote Similarity | NPD6925 | Approved |
0.5859 | Remote Similarity | NPD5776 | Phase 2 |
0.5842 | Remote Similarity | NPD4820 | Approved |
0.5842 | Remote Similarity | NPD6930 | Phase 2 |
0.5842 | Remote Similarity | NPD6931 | Approved |
0.5842 | Remote Similarity | NPD4819 | Approved |
0.5842 | Remote Similarity | NPD4821 | Approved |
0.5842 | Remote Similarity | NPD4822 | Approved |
0.5827 | Remote Similarity | NPD8451 | Approved |
0.5825 | Remote Similarity | NPD5362 | Discontinued |
0.58 | Remote Similarity | NPD4271 | Approved |
0.58 | Remote Similarity | NPD4268 | Approved |
0.5794 | Remote Similarity | NPD7830 | Approved |
0.5794 | Remote Similarity | NPD7829 | Approved |
0.5781 | Remote Similarity | NPD8448 | Approved |
0.5778 | Remote Similarity | NPD6123 | Approved |
0.5769 | Remote Similarity | NPD8392 | Approved |
0.5769 | Remote Similarity | NPD8390 | Approved |
0.5769 | Remote Similarity | NPD8391 | Approved |
0.5766 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.5752 | Remote Similarity | NPD7640 | Approved |
0.5752 | Remote Similarity | NPD6648 | Approved |
0.5752 | Remote Similarity | NPD7639 | Approved |
0.575 | Remote Similarity | NPD6429 | Approved |
0.575 | Remote Similarity | NPD6430 | Approved |
0.5748 | Remote Similarity | NPD8299 | Approved |
0.5748 | Remote Similarity | NPD8342 | Approved |
0.5748 | Remote Similarity | NPD8341 | Approved |
0.5748 | Remote Similarity | NPD8340 | Approved |
0.5743 | Remote Similarity | NPD6929 | Approved |
0.5714 | Remote Similarity | NPD6370 | Approved |
0.5714 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5698 | Remote Similarity | NPD888 | Phase 3 |
0.5698 | Remote Similarity | NPD893 | Approved |
0.5698 | Remote Similarity | NPD891 | Phase 3 |
0.5698 | Remote Similarity | NPD892 | Phase 3 |
0.5698 | Remote Similarity | NPD890 | Clinical (unspecified phase) |
0.5691 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5691 | Remote Similarity | NPD7115 | Discovery |
0.5688 | Remote Similarity | NPD7087 | Discontinued |
0.5682 | Remote Similarity | NPD8449 | Approved |
0.5664 | Remote Similarity | NPD7638 | Approved |
0.5639 | Remote Similarity | NPD8450 | Suspended |
0.5636 | Remote Similarity | NPD8171 | Discontinued |
0.5635 | Remote Similarity | NPD8444 | Approved |
0.5631 | Remote Similarity | NPD4790 | Discontinued |
0.5625 | Remote Similarity | NPD1091 | Approved |
0.5625 | Remote Similarity | NPD7839 | Suspended |
0.5607 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD6933 | Approved |
PubChem CID   | 11968737 |
ChEMBL   | CHEMBL3810093 |
ZINC   |
Molecular Weight:   | 524.17 |
ALogP:   | -5.7677 |
MLogP:   | 2.12 |
XLogP:   | -4.445 |
# Rotatable Bonds:   | 17 |
Polar Surface Area:   | 248.45 |
# H-Bond Aceptor:   | 15 |
# H-Bond Donor:   | 10 |
# Rings:   | 4 |
# Heavy Atoms:   | 36 |