Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO18602 | Melampodium leucanthum | Species | Asteraceae | Eukaryota | leaves and branches | San Antonio, Texas | 2004-JUN |
PMID[25685941] |
NPO18602 | Melampodium leucanthum | Species | Asteraceae | Eukaryota | leaves and branches |
PMID[25685941] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT306 | Cell Line | PC-3 | Homo sapiens | IC50 | = | 3100 | nM | 25685941 |
NPT90 | Cell Line | DU-145 | Homo sapiens | IC50 | = | 2600 | nM | 25685941 |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | = | 1900 | nM | 25685941 |
NPT2657 | Cell Line | A10 | Rattus norvegicus | IC50 | = | 1100 | nM | 25685941 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | IC50 | = | 820000 | nM | 25685941 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | IC50 | = | 2000000 | nM | 25685941 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | Ratio IC50 | = | 2.4 | 25685941 |
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 NPC477511 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 |
---|---|---|
1.0 | High Similarity | NPC264477 |
0.9688 | High Similarity | NPC471143 |
0.9688 | High Similarity | NPC477510 |
0.9681 | High Similarity | NPC477512 |
0.9677 | High Similarity | NPC471140 |
0.957 | High Similarity | NPC17585 |
0.949 | High Similarity | NPC477513 |
0.9355 | High Similarity | NPC471147 |
0.9167 | High Similarity | NPC208233 |
0.9158 | High Similarity | NPC35498 |
0.9082 | High Similarity | NPC471148 |
0.898 | High Similarity | NPC164598 |
0.898 | High Similarity | NPC474339 |
0.8947 | High Similarity | NPC473330 |
0.8947 | High Similarity | NPC140543 |
0.8947 | High Similarity | NPC473316 |
0.8936 | High Similarity | NPC20713 |
0.8925 | High Similarity | NPC166919 |
0.8925 | High Similarity | NPC151770 |
0.8889 | High Similarity | NPC149371 |
0.8878 | High Similarity | NPC475949 |
0.8878 | High Similarity | NPC288876 |
0.8854 | High Similarity | NPC475659 |
0.883 | High Similarity | NPC475748 |
0.8788 | High Similarity | NPC47880 |
0.8788 | High Similarity | NPC201718 |
0.8776 | High Similarity | NPC471144 |
0.8763 | High Similarity | NPC473859 |
0.875 | High Similarity | NPC476267 |
0.871 | High Similarity | NPC231889 |
0.871 | High Similarity | NPC266957 |
0.8646 | High Similarity | NPC165383 |
0.8602 | High Similarity | NPC50637 |
0.8571 | High Similarity | NPC230800 |
0.8571 | High Similarity | NPC279621 |
0.8571 | High Similarity | NPC476275 |
0.8529 | High Similarity | NPC474741 |
0.8495 | Intermediate Similarity | NPC38468 |
0.8495 | Intermediate Similarity | NPC50362 |
0.8495 | Intermediate Similarity | NPC319795 |
0.8469 | Intermediate Similarity | NPC471142 |
0.8438 | Intermediate Similarity | NPC49342 |
0.8438 | Intermediate Similarity | NPC329857 |
0.8438 | Intermediate Similarity | NPC469718 |
0.8438 | Intermediate Similarity | NPC312042 |
0.8438 | Intermediate Similarity | NPC251385 |
0.8431 | Intermediate Similarity | NPC19239 |
0.8431 | Intermediate Similarity | NPC474166 |
0.8421 | Intermediate Similarity | NPC475902 |
0.8416 | Intermediate Similarity | NPC476270 |
0.84 | Intermediate Similarity | NPC474213 |
0.84 | Intermediate Similarity | NPC279561 |
0.84 | Intermediate Similarity | NPC473326 |
0.8396 | Intermediate Similarity | NPC475495 |
0.8384 | Intermediate Similarity | NPC476315 |
0.8367 | Intermediate Similarity | NPC474247 |
0.8367 | Intermediate Similarity | NPC303942 |
0.8367 | Intermediate Similarity | NPC57405 |
0.8365 | Intermediate Similarity | NPC469558 |
0.8365 | Intermediate Similarity | NPC474716 |
0.8333 | Intermediate Similarity | NPC475971 |
0.8318 | Intermediate Similarity | NPC477093 |
0.8318 | Intermediate Similarity | NPC473522 |
0.8318 | Intermediate Similarity | NPC475277 |
0.8316 | Intermediate Similarity | NPC475703 |
0.8302 | Intermediate Similarity | NPC473843 |
0.8302 | Intermediate Similarity | NPC473594 |
0.8302 | Intermediate Similarity | NPC473975 |
0.8302 | Intermediate Similarity | NPC474586 |
0.8298 | Intermediate Similarity | NPC474547 |
0.8283 | Intermediate Similarity | NPC270013 |
0.8283 | Intermediate Similarity | NPC474947 |
0.8283 | Intermediate Similarity | NPC471141 |
0.8283 | Intermediate Similarity | NPC14961 |
0.828 | Intermediate Similarity | NPC272814 |
0.8269 | Intermediate Similarity | NPC9303 |
0.8269 | Intermediate Similarity | NPC475802 |
0.8269 | Intermediate Similarity | NPC16313 |
0.8265 | Intermediate Similarity | NPC228451 |
0.8265 | Intermediate Similarity | NPC212486 |
0.8265 | Intermediate Similarity | NPC125674 |
0.8265 | Intermediate Similarity | NPC475838 |
0.8265 | Intermediate Similarity | NPC476300 |
0.8252 | Intermediate Similarity | NPC475871 |
0.8252 | Intermediate Similarity | NPC472755 |
0.8252 | Intermediate Similarity | NPC475945 |
0.8235 | Intermediate Similarity | NPC15993 |
0.8235 | Intermediate Similarity | NPC474742 |
0.8224 | Intermediate Similarity | NPC194619 |
0.8211 | Intermediate Similarity | NPC204048 |
0.8191 | Intermediate Similarity | NPC470238 |
0.8191 | Intermediate Similarity | NPC138647 |
0.819 | Intermediate Similarity | NPC475587 |
0.819 | Intermediate Similarity | NPC194620 |
0.819 | Intermediate Similarity | NPC326994 |
0.819 | Intermediate Similarity | NPC324327 |
0.819 | Intermediate Similarity | NPC475510 |
0.819 | Intermediate Similarity | NPC474421 |
0.819 | Intermediate Similarity | NPC72813 |
0.8182 | Intermediate Similarity | NPC474035 |
0.8182 | Intermediate Similarity | NPC81386 |
0.8155 | Intermediate Similarity | NPC324017 |
0.8155 | Intermediate Similarity | NPC472754 |
0.8155 | Intermediate Similarity | NPC320019 |
0.8155 | Intermediate Similarity | NPC474747 |
0.8137 | Intermediate Similarity | NPC469551 |
0.8125 | Intermediate Similarity | NPC5130 |
0.8113 | Intermediate Similarity | NPC14862 |
0.8113 | Intermediate Similarity | NPC169888 |
0.8113 | Intermediate Similarity | NPC474664 |
0.8113 | Intermediate Similarity | NPC233379 |
0.8113 | Intermediate Similarity | NPC327286 |
0.8113 | Intermediate Similarity | NPC473939 |
0.8113 | Intermediate Similarity | NPC473595 |
0.8113 | Intermediate Similarity | NPC55972 |
0.81 | Intermediate Similarity | NPC477922 |
0.81 | Intermediate Similarity | NPC36954 |
0.8081 | Intermediate Similarity | NPC475912 |
0.8065 | Intermediate Similarity | NPC141810 |
0.8061 | Intermediate Similarity | NPC51004 |
0.8061 | Intermediate Similarity | NPC62815 |
0.8061 | Intermediate Similarity | NPC473619 |
0.8058 | Intermediate Similarity | NPC46998 |
0.8058 | Intermediate Similarity | NPC128733 |
0.8058 | Intermediate Similarity | NPC185141 |
0.8058 | Intermediate Similarity | NPC110443 |
0.8058 | Intermediate Similarity | NPC472753 |
0.8058 | Intermediate Similarity | NPC133907 |
0.8041 | Intermediate Similarity | NPC469628 |
0.8041 | Intermediate Similarity | NPC469631 |
0.8041 | Intermediate Similarity | NPC471047 |
0.8041 | Intermediate Similarity | NPC469653 |
0.8041 | Intermediate Similarity | NPC475906 |
0.8037 | Intermediate Similarity | NPC38154 |
0.8037 | Intermediate Similarity | NPC475922 |
0.8037 | Intermediate Similarity | NPC15218 |
0.802 | Intermediate Similarity | NPC76862 |
0.802 | Intermediate Similarity | NPC39859 |
0.802 | Intermediate Similarity | NPC470883 |
0.802 | Intermediate Similarity | NPC477921 |
0.802 | Intermediate Similarity | NPC158416 |
0.8018 | Intermediate Similarity | NPC471146 |
0.8018 | Intermediate Similarity | NPC475305 |
0.8 | Intermediate Similarity | NPC472756 |
0.8 | Intermediate Similarity | NPC190294 |
0.798 | Intermediate Similarity | NPC70251 |
0.798 | Intermediate Similarity | NPC473321 |
0.798 | Intermediate Similarity | NPC475881 |
0.798 | Intermediate Similarity | NPC30515 |
0.798 | Intermediate Similarity | NPC184463 |
0.7963 | Intermediate Similarity | NPC281624 |
0.7963 | Intermediate Similarity | NPC115257 |
0.7963 | Intermediate Similarity | NPC161816 |
0.7959 | Intermediate Similarity | NPC474032 |
0.7959 | Intermediate Similarity | NPC307411 |
0.7946 | Intermediate Similarity | NPC475401 |
0.7938 | Intermediate Similarity | NPC471739 |
0.7928 | Intermediate Similarity | NPC474333 |
0.7925 | Intermediate Similarity | NPC223450 |
0.7905 | Intermediate Similarity | NPC4620 |
0.7905 | Intermediate Similarity | NPC475873 |
0.79 | Intermediate Similarity | NPC288240 |
0.79 | Intermediate Similarity | NPC81419 |
0.79 | Intermediate Similarity | NPC273579 |
0.79 | Intermediate Similarity | NPC475302 |
0.79 | Intermediate Similarity | NPC179746 |
0.79 | Intermediate Similarity | NPC295204 |
0.79 | Intermediate Similarity | NPC162205 |
0.7895 | Intermediate Similarity | NPC474703 |
0.7895 | Intermediate Similarity | NPC128429 |
0.7879 | Intermediate Similarity | NPC144133 |
0.7879 | Intermediate Similarity | NPC475855 |
0.7879 | Intermediate Similarity | NPC179394 |
0.7876 | Intermediate Similarity | NPC477092 |
0.7872 | Intermediate Similarity | NPC207188 |
0.787 | Intermediate Similarity | NPC471934 |
0.7857 | Intermediate Similarity | NPC202672 |
0.7857 | Intermediate Similarity | NPC296822 |
0.7857 | Intermediate Similarity | NPC287089 |
0.785 | Intermediate Similarity | NPC26617 |
0.7849 | Intermediate Similarity | NPC617 |
0.7843 | Intermediate Similarity | NPC299396 |
0.7843 | Intermediate Similarity | NPC31645 |
0.7843 | Intermediate Similarity | NPC476009 |
0.7843 | Intermediate Similarity | NPC301596 |
0.7843 | Intermediate Similarity | NPC172998 |
0.7835 | Intermediate Similarity | NPC38576 |
0.7835 | Intermediate Similarity | NPC475491 |
0.7835 | Intermediate Similarity | NPC279859 |
0.7835 | Intermediate Similarity | NPC469626 |
0.7835 | Intermediate Similarity | NPC284902 |
0.783 | Intermediate Similarity | NPC100487 |
0.783 | Intermediate Similarity | NPC475676 |
0.783 | Intermediate Similarity | NPC220964 |
0.7822 | Intermediate Similarity | NPC121825 |
0.7818 | Intermediate Similarity | NPC471933 |
0.7818 | Intermediate Similarity | NPC473877 |
0.781 | Intermediate Similarity | NPC105725 |
0.78 | Intermediate Similarity | NPC12172 |
0.78 | Intermediate Similarity | NPC208886 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC477511 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 |
---|---|---|---|
0.8495 | Intermediate Similarity | NPD1733 | Clinical (unspecified phase) |
0.785 | Intermediate Similarity | NPD7899 | Clinical (unspecified phase) |
0.7525 | Intermediate Similarity | NPD46 | Approved |
0.7525 | Intermediate Similarity | NPD6698 | Approved |
0.7426 | Intermediate Similarity | NPD1695 | Approved |
0.7184 | Intermediate Similarity | NPD7838 | Discovery |
0.7168 | Intermediate Similarity | NPD6371 | Approved |
0.7115 | Intermediate Similarity | NPD7983 | Approved |
0.7075 | Intermediate Similarity | NPD1698 | Clinical (unspecified phase) |
0.6903 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.6822 | Remote Similarity | NPD5282 | Discontinued |
0.6818 | Remote Similarity | NPD6648 | Approved |
0.681 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6757 | Remote Similarity | NPD5344 | Discontinued |
0.6724 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.6577 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6577 | Remote Similarity | NPD4225 | Approved |
0.6552 | Remote Similarity | NPD6686 | Approved |
0.6522 | Remote Similarity | NPD6008 | Approved |
0.6515 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.6504 | Remote Similarity | NPD6319 | Approved |
0.6496 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.648 | Remote Similarity | NPD7642 | Approved |
0.6452 | Remote Similarity | NPD8515 | Approved |
0.6452 | Remote Similarity | NPD8516 | Approved |
0.6452 | Remote Similarity | NPD8517 | Approved |
0.6452 | Remote Similarity | NPD8513 | Phase 3 |
0.6452 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6422 | Remote Similarity | NPD5779 | Approved |
0.6422 | Remote Similarity | NPD5778 | Approved |
0.6408 | Remote Similarity | NPD5209 | Approved |
0.6408 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6393 | Remote Similarity | NPD7115 | Discovery |
0.6389 | Remote Similarity | NPD5785 | Approved |
0.6381 | Remote Similarity | NPD1694 | Approved |
0.6349 | Remote Similarity | NPD7830 | Approved |
0.6349 | Remote Similarity | NPD7829 | Approved |
0.6333 | Remote Similarity | NPD6053 | Discontinued |
0.6299 | Remote Similarity | NPD7492 | Approved |
0.625 | Remote Similarity | NPD6616 | Approved |
0.625 | Remote Similarity | NPD7839 | Suspended |
0.624 | Remote Similarity | NPD6054 | Approved |
0.6226 | Remote Similarity | NPD5363 | Approved |
0.6202 | Remote Similarity | NPD8074 | Phase 3 |
0.6202 | Remote Similarity | NPD7078 | Approved |
0.6198 | Remote Similarity | NPD8297 | Approved |
0.619 | Remote Similarity | NPD6016 | Approved |
0.619 | Remote Similarity | NPD6015 | Approved |
0.6168 | Remote Similarity | NPD5786 | Approved |
0.6154 | Remote Similarity | NPD7736 | Approved |
0.6142 | Remote Similarity | NPD5988 | Approved |
0.6142 | Remote Similarity | NPD6370 | Approved |
0.6136 | Remote Similarity | NPD7260 | Phase 2 |
0.6134 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.6116 | Remote Similarity | NPD6649 | Approved |
0.6116 | Remote Similarity | NPD6650 | Approved |
0.6111 | Remote Similarity | NPD6059 | Approved |
0.6107 | Remote Similarity | NPD7319 | Approved |
0.6094 | Remote Similarity | NPD8328 | Phase 3 |
0.6083 | Remote Similarity | NPD6373 | Approved |
0.6083 | Remote Similarity | NPD6372 | Approved |
0.6077 | Remote Similarity | NPD8293 | Discontinued |
0.605 | Remote Similarity | NPD5697 | Approved |
0.6038 | Remote Similarity | NPD7154 | Phase 3 |
0.6036 | Remote Similarity | NPD5693 | Phase 1 |
0.6033 | Remote Similarity | NPD2067 | Discontinued |
0.6019 | Remote Similarity | NPD4249 | Approved |
0.6016 | Remote Similarity | NPD8080 | Discontinued |
0.6016 | Remote Similarity | NPD4632 | Approved |
0.6 | Remote Similarity | NPD8451 | Approved |
0.6 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD6009 | Approved |
0.6 | Remote Similarity | NPD7507 | Approved |
0.6 | Remote Similarity | NPD6899 | Approved |
0.6 | Remote Similarity | NPD8273 | Phase 1 |
0.6 | Remote Similarity | NPD6881 | Approved |
0.6 | Remote Similarity | NPD5369 | Approved |
0.6 | Remote Similarity | NPD6101 | Approved |
0.5984 | Remote Similarity | NPD2204 | Approved |
0.597 | Remote Similarity | NPD6845 | Suspended |
0.5969 | Remote Similarity | NPD7604 | Phase 2 |
0.5966 | Remote Similarity | NPD6402 | Approved |
0.5966 | Remote Similarity | NPD7128 | Approved |
0.5966 | Remote Similarity | NPD6675 | Approved |
0.5966 | Remote Similarity | NPD5739 | Approved |
0.5963 | Remote Similarity | NPD4251 | Approved |
0.5963 | Remote Similarity | NPD4250 | Approved |
0.5954 | Remote Similarity | NPD8448 | Approved |
0.595 | Remote Similarity | NPD6012 | Approved |
0.595 | Remote Similarity | NPD6014 | Approved |
0.595 | Remote Similarity | NPD6013 | Approved |
0.5943 | Remote Similarity | NPD4270 | Approved |
0.5943 | Remote Similarity | NPD4800 | Clinical (unspecified phase) |
0.5943 | Remote Similarity | NPD6435 | Approved |
0.5943 | Remote Similarity | NPD4269 | Approved |
0.5938 | Remote Similarity | NPD5983 | Phase 2 |
0.5935 | Remote Similarity | NPD6882 | Approved |
0.5917 | Remote Similarity | NPD5701 | Approved |
0.5909 | Remote Similarity | NPD6672 | Approved |
0.5909 | Remote Similarity | NPD5737 | Approved |
0.5902 | Remote Similarity | NPD6883 | Approved |
0.5902 | Remote Similarity | NPD7102 | Approved |
0.5902 | Remote Similarity | NPD7290 | Approved |
0.5893 | Remote Similarity | NPD6411 | Approved |
0.5888 | Remote Similarity | NPD6110 | Phase 1 |
0.5877 | Remote Similarity | NPD5695 | Phase 3 |
0.5873 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.5868 | Remote Similarity | NPD7320 | Approved |
0.5868 | Remote Similarity | NPD6011 | Approved |
0.5862 | Remote Similarity | NPD5696 | Approved |
0.5862 | Remote Similarity | NPD7638 | Approved |
0.5854 | Remote Similarity | NPD6869 | Approved |
0.5854 | Remote Similarity | NPD6617 | Approved |
0.5854 | Remote Similarity | NPD8130 | Phase 1 |
0.5854 | Remote Similarity | NPD6847 | Approved |
0.5827 | Remote Similarity | NPD7641 | Discontinued |
0.5821 | Remote Similarity | NPD8390 | Approved |
0.5821 | Remote Similarity | NPD8391 | Approved |
0.5821 | Remote Similarity | NPD8392 | Approved |
0.5814 | Remote Similarity | NPD8444 | Approved |
0.5814 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.5812 | Remote Similarity | NPD7640 | Approved |
0.5812 | Remote Similarity | NPD7639 | Approved |
0.5802 | Remote Similarity | NPD8342 | Approved |
0.5802 | Remote Similarity | NPD8340 | Approved |
0.5802 | Remote Similarity | NPD8341 | Approved |
0.5802 | Remote Similarity | NPD8299 | Approved |
0.578 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5776 | Remote Similarity | NPD6083 | Phase 2 |
0.5776 | Remote Similarity | NPD6084 | Phase 2 |
0.5772 | Remote Similarity | NPD4634 | Approved |
0.5769 | Remote Similarity | NPD4756 | Discovery |
0.5758 | Remote Similarity | NPD6336 | Discontinued |
0.5755 | Remote Similarity | NPD5368 | Approved |
0.5755 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5755 | Remote Similarity | NPD4821 | Approved |
0.5755 | Remote Similarity | NPD4820 | Approved |
0.5755 | Remote Similarity | NPD4819 | Approved |
0.5755 | Remote Similarity | NPD4822 | Approved |
0.5755 | Remote Similarity | NPD4252 | Approved |
0.5748 | Remote Similarity | NPD7500 | Approved |
0.5741 | Remote Similarity | NPD5362 | Discontinued |
0.5728 | Remote Similarity | NPD8039 | Approved |
0.5725 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD6673 | Approved |
0.5714 | Remote Similarity | NPD6904 | Approved |
0.5714 | Remote Similarity | NPD6080 | Approved |
0.5692 | Remote Similarity | NPD6921 | Approved |
0.5672 | Remote Similarity | NPD6033 | Approved |
0.5669 | Remote Similarity | NPD6274 | Approved |
0.5664 | Remote Similarity | NPD5692 | Phase 3 |
0.5664 | Remote Similarity | NPD3168 | Discontinued |
0.5652 | Remote Similarity | NPD8415 | Approved |
0.563 | Remote Similarity | NPD1700 | Approved |
0.5625 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD6050 | Approved |
0.5614 | Remote Similarity | NPD7637 | Suspended |
0.5614 | Remote Similarity | NPD5694 | Approved |
0.5603 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD6401 | Clinical (unspecified phase) |
PubChem CID   | |
ChEMBL   | CHEMBL3581241 |
ZINC   |
Molecular Weight:   | 478.15 |
ALogP:   | -0.2288 |
MLogP:   | 2.78 |
XLogP:   | 0.17 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 142.79 |
# H-Bond Aceptor:   | 11 |
# H-Bond Donor:   | 0 |
# Rings:   | 5 |
# Heavy Atoms:   | 34 |