Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO10690 | Hexabranchus sanguineus | Species | Hexabranchidae | Eukaryota |
PMID[19254038] |
|||
NPO29155 | Pachastrissa nux | NA | NA | NA | UNPD* | |||
NPO29306 | Colchicum szovitsii | Species | Colchicaceae | Eukaryota | UNPD* | |||
NPO7298.1 | Brassica napus subsp. rapifera | Subspecies | Brassicaceae | Eukaryota | UNPD* | |||
NPO29155 | Pachastrissa nux | NA | NA | NA |
PMID[21410162] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT168 | Cell Line | P388 | Mus musculus | IC50 | = | 0.3 | ug/ml | 8350092 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 0.8 | ug/ml | 8350092 |
NPT2 | Others | Unspecified | IC50 | = | 0.3 | ug/ml | 8350092 | |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 0.016 | ug/ml | 19254038 |
NPT554 | Organism | Candida glabrata | Candida glabrata | MIC | = | 0.25 | ug/ml | 19254038 |
NPT85 | Organism | Filobasidiella neoformans | Cryptococcus neoformans | MIC | = | 0.125 | ug/ml | 19254038 |
NPT485 | Organism | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum K1 | IC50 | = | 4790 | nM | 21410162 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 470 | nM | 21410162 |
NPT2 | Others | Unspecified | IC50 | = | 7590 | nM | 21410162 |
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 NPC299035 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 | NPC177432 |
0.9951 | High Similarity | NPC477218 |
0.9951 | High Similarity | NPC168135 |
0.9951 | High Similarity | NPC322800 |
0.9804 | High Similarity | NPC37924 |
0.9756 | High Similarity | NPC325683 |
0.9755 | High Similarity | NPC477219 |
0.9565 | High Similarity | NPC476828 |
0.942 | High Similarity | NPC476827 |
0.942 | High Similarity | NPC476831 |
0.942 | High Similarity | NPC476826 |
0.9375 | High Similarity | NPC476830 |
0.9014 | High Similarity | NPC476832 |
0.8143 | Intermediate Similarity | NPC476829 |
0.7282 | Intermediate Similarity | NPC30527 |
0.7264 | Intermediate Similarity | NPC58001 |
0.7264 | Intermediate Similarity | NPC314523 |
0.7162 | Intermediate Similarity | NPC208297 |
0.7162 | Intermediate Similarity | NPC224395 |
0.7048 | Intermediate Similarity | NPC258022 |
0.7008 | Intermediate Similarity | NPC477585 |
0.7008 | Intermediate Similarity | NPC477588 |
0.7008 | Intermediate Similarity | NPC477590 |
0.7008 | Intermediate Similarity | NPC477586 |
0.6964 | Remote Similarity | NPC295653 |
0.6964 | Remote Similarity | NPC107458 |
0.6937 | Remote Similarity | NPC88938 |
0.6937 | Remote Similarity | NPC58112 |
0.6937 | Remote Similarity | NPC306300 |
0.6926 | Remote Similarity | NPC477589 |
0.6926 | Remote Similarity | NPC477587 |
0.6828 | Remote Similarity | NPC289029 |
0.6828 | Remote Similarity | NPC48323 |
0.6741 | Remote Similarity | NPC199461 |
0.6741 | Remote Similarity | NPC315411 |
0.6741 | Remote Similarity | NPC103452 |
0.6741 | Remote Similarity | NPC46313 |
0.6716 | Remote Similarity | NPC196449 |
0.6716 | Remote Similarity | NPC314222 |
0.6681 | Remote Similarity | NPC309919 |
0.6681 | Remote Similarity | NPC49195 |
0.6667 | Remote Similarity | NPC472436 |
0.6569 | Remote Similarity | NPC315061 |
0.655 | Remote Similarity | NPC472435 |
0.6523 | Remote Similarity | NPC165964 |
0.6509 | Remote Similarity | NPC315872 |
0.6426 | Remote Similarity | NPC102593 |
0.6426 | Remote Similarity | NPC196718 |
0.6374 | Remote Similarity | NPC258048 |
0.6326 | Remote Similarity | NPC211555 |
0.6314 | Remote Similarity | NPC148889 |
0.6304 | Remote Similarity | NPC472434 |
0.6279 | Remote Similarity | NPC186452 |
0.6268 | Remote Similarity | NPC207620 |
0.6246 | Remote Similarity | NPC169716 |
0.6245 | Remote Similarity | NPC182222 |
0.6239 | Remote Similarity | NPC12660 |
0.6216 | Remote Similarity | NPC72715 |
0.621 | Remote Similarity | NPC54983 |
0.621 | Remote Similarity | NPC314633 |
0.6202 | Remote Similarity | NPC316224 |
0.6192 | Remote Similarity | NPC161801 |
0.6148 | Remote Similarity | NPC477979 |
0.6148 | Remote Similarity | NPC471979 |
0.6134 | Remote Similarity | NPC152620 |
0.609 | Remote Similarity | NPC53534 |
0.6048 | Remote Similarity | NPC313804 |
0.6048 | Remote Similarity | NPC315804 |
0.6038 | Remote Similarity | NPC124300 |
0.6037 | Remote Similarity | NPC471978 |
0.6034 | Remote Similarity | NPC220408 |
0.6031 | Remote Similarity | NPC310618 |
0.6031 | Remote Similarity | NPC58209 |
0.6023 | Remote Similarity | NPC26543 |
0.6023 | Remote Similarity | NPC10904 |
0.6022 | Remote Similarity | NPC473833 |
0.6015 | Remote Similarity | NPC291609 |
0.6008 | Remote Similarity | NPC140296 |
0.5992 | Remote Similarity | NPC97746 |
0.5984 | Remote Similarity | NPC194740 |
0.5978 | Remote Similarity | NPC328928 |
0.5973 | Remote Similarity | NPC475455 |
0.5969 | Remote Similarity | NPC57453 |
0.5955 | Remote Similarity | NPC471015 |
0.5954 | Remote Similarity | NPC208364 |
0.5953 | Remote Similarity | NPC141053 |
0.5952 | Remote Similarity | NPC205372 |
0.5948 | Remote Similarity | NPC476514 |
0.5945 | Remote Similarity | NPC186351 |
0.5944 | Remote Similarity | NPC131885 |
0.594 | Remote Similarity | NPC473800 |
0.594 | Remote Similarity | NPC67401 |
0.5933 | Remote Similarity | NPC326930 |
0.5933 | Remote Similarity | NPC475301 |
0.5929 | Remote Similarity | NPC212766 |
0.5929 | Remote Similarity | NPC289423 |
0.5926 | Remote Similarity | NPC316403 |
0.5925 | Remote Similarity | NPC63971 |
0.5925 | Remote Similarity | NPC91868 |
0.592 | Remote Similarity | NPC298436 |
0.5918 | Remote Similarity | NPC269367 |
0.5912 | Remote Similarity | NPC470042 |
0.5911 | Remote Similarity | NPC13603 |
0.5904 | Remote Similarity | NPC312645 |
0.5891 | Remote Similarity | NPC220852 |
0.5887 | Remote Similarity | NPC153452 |
0.5885 | Remote Similarity | NPC184680 |
0.5885 | Remote Similarity | NPC240384 |
0.5882 | Remote Similarity | NPC244536 |
0.5875 | Remote Similarity | NPC260434 |
0.5874 | Remote Similarity | NPC53255 |
0.5874 | Remote Similarity | NPC85879 |
0.5871 | Remote Similarity | NPC180668 |
0.5871 | Remote Similarity | NPC148896 |
0.5871 | Remote Similarity | NPC471013 |
0.5865 | Remote Similarity | NPC173250 |
0.5863 | Remote Similarity | NPC313966 |
0.5863 | Remote Similarity | NPC314254 |
0.5862 | Remote Similarity | NPC470784 |
0.5862 | Remote Similarity | NPC470785 |
0.5861 | Remote Similarity | NPC230683 |
0.5861 | Remote Similarity | NPC209981 |
0.5856 | Remote Similarity | NPC166712 |
0.5852 | Remote Similarity | NPC120513 |
0.584 | Remote Similarity | NPC168922 |
0.5836 | Remote Similarity | NPC329982 |
0.5833 | Remote Similarity | NPC323969 |
0.5833 | Remote Similarity | NPC75179 |
0.5833 | Remote Similarity | NPC160100 |
0.5833 | Remote Similarity | NPC188400 |
0.583 | Remote Similarity | NPC284888 |
0.5827 | Remote Similarity | NPC1608 |
0.5824 | Remote Similarity | NPC285343 |
0.5823 | Remote Similarity | NPC16066 |
0.5821 | Remote Similarity | NPC315893 |
0.5821 | Remote Similarity | NPC313587 |
0.5821 | Remote Similarity | NPC181081 |
0.5821 | Remote Similarity | NPC316110 |
0.5817 | Remote Similarity | NPC281049 |
0.5817 | Remote Similarity | NPC99891 |
0.5814 | Remote Similarity | NPC14288 |
0.581 | Remote Similarity | NPC90019 |
0.5808 | Remote Similarity | NPC34770 |
0.5802 | Remote Similarity | NPC474183 |
0.5802 | Remote Similarity | NPC101350 |
0.58 | Remote Similarity | NPC85702 |
0.5792 | Remote Similarity | NPC321592 |
0.5792 | Remote Similarity | NPC54803 |
0.5791 | Remote Similarity | NPC101312 |
0.5791 | Remote Similarity | NPC473639 |
0.5789 | Remote Similarity | NPC123839 |
0.5788 | Remote Similarity | NPC185197 |
0.5787 | Remote Similarity | NPC478141 |
0.5784 | Remote Similarity | NPC203373 |
0.5783 | Remote Similarity | NPC89508 |
0.5781 | Remote Similarity | NPC319232 |
0.5781 | Remote Similarity | NPC24370 |
0.578 | Remote Similarity | NPC172355 |
0.5779 | Remote Similarity | NPC216507 |
0.5775 | Remote Similarity | NPC223409 |
0.5775 | Remote Similarity | NPC322135 |
0.5768 | Remote Similarity | NPC475315 |
0.5768 | Remote Similarity | NPC18487 |
0.5768 | Remote Similarity | NPC187558 |
0.5768 | Remote Similarity | NPC324619 |
0.5766 | Remote Similarity | NPC215837 |
0.5766 | Remote Similarity | NPC146418 |
0.5765 | Remote Similarity | NPC475271 |
0.5763 | Remote Similarity | NPC28945 |
0.5763 | Remote Similarity | NPC15801 |
0.5763 | Remote Similarity | NPC235685 |
0.5762 | Remote Similarity | NPC476515 |
0.5761 | Remote Similarity | NPC100734 |
0.5761 | Remote Similarity | NPC315634 |
0.5761 | Remote Similarity | NPC88923 |
0.5754 | Remote Similarity | NPC314270 |
0.5754 | Remote Similarity | NPC303658 |
0.5749 | Remote Similarity | NPC478158 |
0.5747 | Remote Similarity | NPC475619 |
0.574 | Remote Similarity | NPC227824 |
0.5738 | Remote Similarity | NPC317572 |
0.5736 | Remote Similarity | NPC100547 |
0.5736 | Remote Similarity | NPC33949 |
0.573 | Remote Similarity | NPC191489 |
0.573 | Remote Similarity | NPC475533 |
0.5726 | Remote Similarity | NPC314834 |
0.572 | Remote Similarity | NPC475816 |
0.572 | Remote Similarity | NPC314882 |
0.5719 | Remote Similarity | NPC260909 |
0.5714 | Remote Similarity | NPC95240 |
0.571 | Remote Similarity | NPC115282 |
0.5709 | Remote Similarity | NPC266249 |
0.5709 | Remote Similarity | NPC287208 |
0.5709 | Remote Similarity | NPC323752 |
0.5709 | Remote Similarity | NPC282346 |
0.5704 | Remote Similarity | NPC14812 |
0.5698 | Remote Similarity | NPC124920 |
0.5698 | Remote Similarity | NPC118559 |
0.5698 | Remote Similarity | NPC261251 |
0.5698 | Remote Similarity | NPC34580 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC299035 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 |
---|---|---|---|
0.6933 | Remote Similarity | NPD7896 | Approved |
0.6509 | Remote Similarity | NPD6444 | Clinical (unspecified phase) |
0.648 | Remote Similarity | NPD7853 | Phase 2 |
0.6463 | Remote Similarity | NPD6347 | Phase 2 |
0.6452 | Remote Similarity | NPD7284 | Clinical (unspecified phase) |
0.6448 | Remote Similarity | NPD8370 | Discontinued |
0.6446 | Remote Similarity | NPD6974 | Phase 3 |
0.6364 | Remote Similarity | NPD7490 | Discontinued |
0.6341 | Remote Similarity | NPD7547 | Clinical (unspecified phase) |
0.6281 | Remote Similarity | NPD4667 | Clinical (unspecified phase) |
0.6268 | Remote Similarity | NPD7690 | Clinical (unspecified phase) |
0.626 | Remote Similarity | NPD4368 | Phase 2 |
0.623 | Remote Similarity | NPD7031 | Phase 1 |
0.6189 | Remote Similarity | NPD2433 | Clinical (unspecified phase) |
0.6185 | Remote Similarity | NPD6247 | Clinical (unspecified phase) |
0.616 | Remote Similarity | NPD3263 | Phase 3 |
0.6154 | Remote Similarity | NPD7180 | Phase 3 |
0.6151 | Remote Similarity | NPD8255 | Phase 2 |
0.6143 | Remote Similarity | NPD8279 | Clinical (unspecified phase) |
0.6136 | Remote Similarity | NPD5532 | Phase 2 |
0.6118 | Remote Similarity | NPD2951 | Discontinued |
0.6107 | Remote Similarity | NPD3945 | Discontinued |
0.6107 | Remote Similarity | NPD8324 | Phase 2 |
0.61 | Remote Similarity | NPD8116 | Phase 3 |
0.61 | Remote Similarity | NPD8117 | Approved |
0.6092 | Remote Similarity | NPD2779 | Approved |
0.6045 | Remote Similarity | NPD3801 | Clinical (unspecified phase) |
0.6031 | Remote Similarity | NPD3006 | Discontinued |
0.6024 | Remote Similarity | NPD4898 | Clinical (unspecified phase) |
0.6024 | Remote Similarity | NPD5924 | Discontinued |
0.6024 | Remote Similarity | NPD8374 | Phase 3 |
0.6023 | Remote Similarity | NPD2921 | Clinical (unspecified phase) |
0.6023 | Remote Similarity | NPD5482 | Discontinued |
0.6008 | Remote Similarity | NPD4958 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5922 | Phase 3 |
0.5992 | Remote Similarity | NPD8329 | Phase 3 |
0.5985 | Remote Similarity | NPD4394 | Clinical (unspecified phase) |
0.5977 | Remote Similarity | NPD7022 | Phase 2 |
0.5976 | Remote Similarity | NPD8356 | Approved |
0.5976 | Remote Similarity | NPD6824 | Clinical (unspecified phase) |
0.597 | Remote Similarity | NPD8291 | Clinical (unspecified phase) |
0.597 | Remote Similarity | NPD8375 | Approved |
0.5966 | Remote Similarity | NPD2778 | Approved |
0.5962 | Remote Similarity | NPD6525 | Clinical (unspecified phase) |
0.5962 | Remote Similarity | NPD5908 | Clinical (unspecified phase) |
0.5961 | Remote Similarity | NPD7589 | Clinical (unspecified phase) |
0.596 | Remote Similarity | NPD8479 | Phase 2 |
0.5955 | Remote Similarity | NPD6252 | Clinical (unspecified phase) |
0.5953 | Remote Similarity | NPD4373 | Phase 2 |
0.5951 | Remote Similarity | NPD5293 | Phase 2 |
0.5949 | Remote Similarity | NPD7393 | Clinical (unspecified phase) |
0.5945 | Remote Similarity | NPD8430 | Approved |
0.5945 | Remote Similarity | NPD7268 | Clinical (unspecified phase) |
0.5925 | Remote Similarity | NPD8371 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD3392 | Approved |
0.5906 | Remote Similarity | NPD5640 | Discontinued |
0.5904 | Remote Similarity | NPD5443 | Clinical (unspecified phase) |
0.5898 | Remote Similarity | NPD4952 | Phase 3 |
0.5896 | Remote Similarity | NPD5850 | Phase 3 |
0.5894 | Remote Similarity | NPD6567 | Clinical (unspecified phase) |
0.5887 | Remote Similarity | NPD6169 | Phase 1 |
0.5885 | Remote Similarity | NPD3507 | Phase 2 |
0.5882 | Remote Similarity | NPD4086 | Phase 1 |
0.5871 | Remote Similarity | NPD5483 | Clinical (unspecified phase) |
0.587 | Remote Similarity | NPD5866 | Approved |
0.5863 | Remote Similarity | NPD8160 | Phase 2 |
0.5863 | Remote Similarity | NPD7053 | Clinical (unspecified phase) |
0.5859 | Remote Similarity | NPD8104 | Phase 3 |
0.5836 | Remote Similarity | NPD8421 | Discontinued |
0.5836 | Remote Similarity | NPD8463 | Approved |
0.5833 | Remote Similarity | NPD6857 | Phase 3 |
0.5823 | Remote Similarity | NPD1638 | Discovery |
0.582 | Remote Similarity | NPD7994 | Phase 2 |
0.5818 | Remote Similarity | NPD5450 | Discontinued |
0.5817 | Remote Similarity | NPD7417 | Discontinued |
0.5817 | Remote Similarity | NPD7878 | Phase 2 |
0.5815 | Remote Similarity | NPD8247 | Approved |
0.5815 | Remote Similarity | NPD8246 | Approved |
0.5814 | Remote Similarity | NPD8372 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD1867 | Approved |
0.5808 | Remote Similarity | NPD3074 | Discontinued |
0.5792 | Remote Similarity | NPD772 | Phase 3 |
0.5779 | Remote Similarity | NPD7885 | Phase 2 |
0.5779 | Remote Similarity | NPD7886 | Phase 2 |
0.5777 | Remote Similarity | NPD8325 | Phase 3 |
0.5777 | Remote Similarity | NPD8327 | Clinical (unspecified phase) |
0.5777 | Remote Similarity | NPD8326 | Phase 3 |
0.5775 | Remote Similarity | NPD5479 | Discontinued |
0.5775 | Remote Similarity | NPD1659 | Phase 1 |
0.5766 | Remote Similarity | NPD5416 | Discontinued |
0.5766 | Remote Similarity | NPD7070 | Clinical (unspecified phase) |
0.5761 | Remote Similarity | NPD7803 | Approved |
0.5753 | Remote Similarity | NPD1505 | Phase 2 |
0.5749 | Remote Similarity | NPD1955 | Discontinued |
0.574 | Remote Similarity | NPD6023 | Discontinued |
0.5736 | Remote Similarity | NPD6716 | Phase 1 |
0.5732 | Remote Similarity | NPD4392 | Phase 2 |
0.573 | Remote Similarity | NPD7708 | Approved |
0.572 | Remote Similarity | NPD8289 | Discontinued |
0.572 | Remote Similarity | NPD1480 | Clinical (unspecified phase) |
0.5719 | Remote Similarity | NPD8459 | Approved |
0.5719 | Remote Similarity | NPD8460 | Approved |
0.5714 | Remote Similarity | NPD6495 | Clinical (unspecified phase) |
0.5703 | Remote Similarity | NPD7470 | Discontinued |
0.5697 | Remote Similarity | NPD5417 | Clinical (unspecified phase) |
0.5693 | Remote Similarity | NPD7955 | Approved |
0.5693 | Remote Similarity | NPD7956 | Approved |
0.5692 | Remote Similarity | NPD5632 | Approved |
0.5688 | Remote Similarity | NPD4369 | Phase 2 |
0.5683 | Remote Similarity | NPD5857 | Phase 3 |
0.568 | Remote Similarity | NPD8097 | Phase 3 |
0.568 | Remote Similarity | NPD8096 | Phase 3 |
0.567 | Remote Similarity | NPD7797 | Approved |
0.567 | Remote Similarity | NPD7796 | Approved |
0.5668 | Remote Similarity | NPD8322 | Phase 2 |
0.5663 | Remote Similarity | NPD4900 | Clinical (unspecified phase) |
0.5661 | Remote Similarity | NPD7777 | Approved |
0.5661 | Remote Similarity | NPD7778 | Approved |
0.5661 | Remote Similarity | NPD8253 | Phase 3 |
0.5661 | Remote Similarity | NPD53 | Approved |
0.5654 | Remote Similarity | NPD5022 | Discontinued |
0.5649 | Remote Similarity | NPD6741 | Clinical (unspecified phase) |
0.5637 | Remote Similarity | NPD3259 | Approved |
0.5633 | Remote Similarity | NPD6863 | Phase 2 |
0.5632 | Remote Similarity | NPD7688 | Phase 1 |
0.5632 | Remote Similarity | NPD5461 | Discontinued |
0.5632 | Remote Similarity | NPD6962 | Phase 2 |
0.563 | Remote Similarity | NPD4896 | Clinical (unspecified phase) |
0.5629 | Remote Similarity | NPD8357 | Approved |
0.5618 | Remote Similarity | NPD4322 | Discontinued |
0.5618 | Remote Similarity | NPD7605 | Discovery |
0.5614 | Remote Similarity | NPD6627 | Discontinued |
0.5613 | Remote Similarity | NPD5817 | Discontinued |
0.5604 | Remote Similarity | NPD2311 | Clinical (unspecified phase) |
0.5602 | Remote Similarity | NPD1927 | Discontinued |
PubChem CID   | 44593597 |
ChEMBL   | CHEMBL443430 |
ZINC   |
Molecular Weight:   | 941.50 |
ALogP:   | 0.2107 |
MLogP:   | 4.65 |
XLogP:   | 4.208 |
# Rotatable Bonds:   | 31 |
Polar Surface Area:   | 252.23 |
# H-Bond Aceptor:   | 16 |
# H-Bond Donor:   | 3 |
# Rings:   | 4 |
# Heavy Atoms:   | 67 |