Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT547 | Cell Line | BGC-823 | Homo sapiens | IC50 | > | 10 | ug/ml | 21868221 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10 | ug/ml | 18278859 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 100 | ug/ml | 9834160 |
NPT180 | Cell Line | HCT-8 | Homo sapiens | IC50 | > | 10 | ug/ml | 9834160 |
NPT181 | Cell Line | Bel-7402 | Homo sapiens | IC50 | > | 10 | ug/ml | 9834160 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 10 | ug/ml | 9834160 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | > | 100 | ug/ml | 9834160 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 100 | ug/ml | 9834160 |
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 NPC474536 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 |
---|---|---|
0.8984 | High Similarity | NPC55113 |
0.8605 | High Similarity | NPC142776 |
0.8527 | High Similarity | NPC137117 |
0.8462 | Intermediate Similarity | NPC220311 |
0.8409 | Intermediate Similarity | NPC150929 |
0.8372 | Intermediate Similarity | NPC47790 |
0.8346 | Intermediate Similarity | NPC85049 |
0.8284 | Intermediate Similarity | NPC160081 |
0.8284 | Intermediate Similarity | NPC226493 |
0.8175 | Intermediate Similarity | NPC50782 |
0.8062 | Intermediate Similarity | NPC38483 |
0.8062 | Intermediate Similarity | NPC117759 |
0.806 | Intermediate Similarity | NPC13004 |
0.7971 | Intermediate Similarity | NPC244890 |
0.7971 | Intermediate Similarity | NPC163560 |
0.7929 | Intermediate Similarity | NPC224663 |
0.7914 | Intermediate Similarity | NPC245386 |
0.7879 | Intermediate Similarity | NPC136543 |
0.7863 | Intermediate Similarity | NPC474146 |
0.7852 | Intermediate Similarity | NPC43706 |
0.7829 | Intermediate Similarity | NPC79844 |
0.782 | Intermediate Similarity | NPC229213 |
0.7817 | Intermediate Similarity | NPC160932 |
0.7794 | Intermediate Similarity | NPC473708 |
0.7794 | Intermediate Similarity | NPC474147 |
0.7761 | Intermediate Similarity | NPC473572 |
0.7761 | Intermediate Similarity | NPC474169 |
0.7761 | Intermediate Similarity | NPC84606 |
0.7708 | Intermediate Similarity | NPC89341 |
0.7687 | Intermediate Similarity | NPC219444 |
0.7681 | Intermediate Similarity | NPC474614 |
0.7669 | Intermediate Similarity | NPC227976 |
0.7622 | Intermediate Similarity | NPC271942 |
0.7606 | Intermediate Similarity | NPC199089 |
0.7591 | Intermediate Similarity | NPC134219 |
0.7586 | Intermediate Similarity | NPC118794 |
0.7551 | Intermediate Similarity | NPC109346 |
0.7429 | Intermediate Similarity | NPC105702 |
0.7413 | Intermediate Similarity | NPC312155 |
0.7273 | Intermediate Similarity | NPC300678 |
0.7273 | Intermediate Similarity | NPC303011 |
0.726 | Intermediate Similarity | NPC156356 |
0.7237 | Intermediate Similarity | NPC473608 |
0.7222 | Intermediate Similarity | NPC471328 |
0.7209 | Intermediate Similarity | NPC471495 |
0.7203 | Intermediate Similarity | NPC43613 |
0.7154 | Intermediate Similarity | NPC107522 |
0.7153 | Intermediate Similarity | NPC184465 |
0.7153 | Intermediate Similarity | NPC474135 |
0.7143 | Intermediate Similarity | NPC168680 |
0.7113 | Intermediate Similarity | NPC214553 |
0.7099 | Intermediate Similarity | NPC473358 |
0.7068 | Intermediate Similarity | NPC76400 |
0.704 | Intermediate Similarity | NPC109955 |
0.7025 | Intermediate Similarity | NPC474535 |
0.7023 | Intermediate Similarity | NPC54543 |
0.6984 | Remote Similarity | NPC131587 |
0.6981 | Remote Similarity | NPC475697 |
0.6966 | Remote Similarity | NPC110800 |
0.6953 | Remote Similarity | NPC196479 |
0.6929 | Remote Similarity | NPC223393 |
0.6923 | Remote Similarity | NPC202776 |
0.6899 | Remote Similarity | NPC120719 |
0.6899 | Remote Similarity | NPC79672 |
0.6899 | Remote Similarity | NPC52087 |
0.6883 | Remote Similarity | NPC88896 |
0.6875 | Remote Similarity | NPC110764 |
0.6859 | Remote Similarity | NPC152947 |
0.685 | Remote Similarity | NPC275104 |
0.6849 | Remote Similarity | NPC166624 |
0.6842 | Remote Similarity | NPC471487 |
0.6842 | Remote Similarity | NPC184632 |
0.6822 | Remote Similarity | NPC477802 |
0.6822 | Remote Similarity | NPC477801 |
0.6815 | Remote Similarity | NPC471488 |
0.6794 | Remote Similarity | NPC477814 |
0.6776 | Remote Similarity | NPC250597 |
0.6769 | Remote Similarity | NPC471511 |
0.6769 | Remote Similarity | NPC12278 |
0.6767 | Remote Similarity | NPC473372 |
0.6765 | Remote Similarity | NPC94217 |
0.6727 | Remote Similarity | NPC191557 |
0.6718 | Remote Similarity | NPC239291 |
0.6691 | Remote Similarity | NPC191194 |
0.6691 | Remote Similarity | NPC33244 |
0.6691 | Remote Similarity | NPC59387 |
0.6667 | Remote Similarity | NPC471486 |
0.6667 | Remote Similarity | NPC1075 |
0.6667 | Remote Similarity | NPC1786 |
0.6667 | Remote Similarity | NPC19149 |
0.6667 | Remote Similarity | NPC294902 |
0.6647 | Remote Similarity | NPC288747 |
0.6646 | Remote Similarity | NPC7398 |
0.6642 | Remote Similarity | NPC246358 |
0.6642 | Remote Similarity | NPC7097 |
0.6642 | Remote Similarity | NPC228343 |
0.6642 | Remote Similarity | NPC254833 |
0.6642 | Remote Similarity | NPC233731 |
0.6642 | Remote Similarity | NPC115803 |
0.6642 | Remote Similarity | NPC36108 |
0.662 | Remote Similarity | NPC88733 |
0.662 | Remote Similarity | NPC173511 |
0.6617 | Remote Similarity | NPC176527 |
0.6596 | Remote Similarity | NPC63317 |
0.6596 | Remote Similarity | NPC180207 |
0.6596 | Remote Similarity | NPC41232 |
0.6582 | Remote Similarity | NPC226514 |
0.6577 | Remote Similarity | NPC163810 |
0.6567 | Remote Similarity | NPC105727 |
0.6567 | Remote Similarity | NPC58427 |
0.6567 | Remote Similarity | NPC34864 |
0.6567 | Remote Similarity | NPC114392 |
0.6567 | Remote Similarity | NPC233835 |
0.6549 | Remote Similarity | NPC153580 |
0.6549 | Remote Similarity | NPC299939 |
0.6549 | Remote Similarity | NPC226737 |
0.6549 | Remote Similarity | NPC170824 |
0.6548 | Remote Similarity | NPC475688 |
0.6544 | Remote Similarity | NPC257124 |
0.6544 | Remote Similarity | NPC173746 |
0.6544 | Remote Similarity | NPC78918 |
0.6544 | Remote Similarity | NPC8547 |
0.6544 | Remote Similarity | NPC139617 |
0.6544 | Remote Similarity | NPC156840 |
0.6544 | Remote Similarity | NPC226250 |
0.6535 | Remote Similarity | NPC475466 |
0.6533 | Remote Similarity | NPC71888 |
0.6533 | Remote Similarity | NPC120114 |
0.6528 | Remote Similarity | NPC131940 |
0.6528 | Remote Similarity | NPC68350 |
0.6528 | Remote Similarity | NPC197576 |
0.6528 | Remote Similarity | NPC81149 |
0.6528 | Remote Similarity | NPC230013 |
0.6519 | Remote Similarity | NPC178097 |
0.6519 | Remote Similarity | NPC62258 |
0.6519 | Remote Similarity | NPC55617 |
0.6503 | Remote Similarity | NPC137922 |
0.6503 | Remote Similarity | NPC40302 |
0.6491 | Remote Similarity | NPC475120 |
0.6486 | Remote Similarity | NPC99280 |
0.6471 | Remote Similarity | NPC120982 |
0.6471 | Remote Similarity | NPC79793 |
0.6471 | Remote Similarity | NPC147634 |
0.6471 | Remote Similarity | NPC222084 |
0.6471 | Remote Similarity | NPC174096 |
0.6471 | Remote Similarity | NPC226401 |
0.6458 | Remote Similarity | NPC97157 |
0.6458 | Remote Similarity | NPC159866 |
0.6458 | Remote Similarity | NPC175520 |
0.6458 | Remote Similarity | NPC296202 |
0.6458 | Remote Similarity | NPC25134 |
0.6458 | Remote Similarity | NPC64130 |
0.6458 | Remote Similarity | NPC295879 |
0.6454 | Remote Similarity | NPC104124 |
0.6449 | Remote Similarity | NPC95381 |
0.6449 | Remote Similarity | NPC264558 |
0.6449 | Remote Similarity | NPC148969 |
0.6447 | Remote Similarity | NPC309667 |
0.6423 | Remote Similarity | NPC257430 |
0.6423 | Remote Similarity | NPC297657 |
0.6423 | Remote Similarity | NPC248817 |
0.6423 | Remote Similarity | NPC268032 |
0.6423 | Remote Similarity | NPC150837 |
0.6423 | Remote Similarity | NPC179002 |
0.6423 | Remote Similarity | NPC187583 |
0.6408 | Remote Similarity | NPC44270 |
0.6408 | Remote Similarity | NPC86007 |
0.6403 | Remote Similarity | NPC261453 |
0.6403 | Remote Similarity | NPC142599 |
0.6403 | Remote Similarity | NPC328593 |
0.6403 | Remote Similarity | NPC33749 |
0.64 | Remote Similarity | NPC19680 |
0.64 | Remote Similarity | NPC27974 |
0.6389 | Remote Similarity | NPC474375 |
0.6389 | Remote Similarity | NPC7830 |
0.6377 | Remote Similarity | NPC51698 |
0.6377 | Remote Similarity | NPC146422 |
0.6377 | Remote Similarity | NPC131530 |
0.6377 | Remote Similarity | NPC471179 |
0.6371 | Remote Similarity | NPC197783 |
0.637 | Remote Similarity | NPC213414 |
0.6357 | Remote Similarity | NPC233669 |
0.6357 | Remote Similarity | NPC474967 |
0.6357 | Remote Similarity | NPC274678 |
0.6357 | Remote Similarity | NPC472893 |
0.6343 | Remote Similarity | NPC129885 |
0.6341 | Remote Similarity | NPC319826 |
0.6341 | Remote Similarity | NPC265146 |
0.6341 | Remote Similarity | NPC124436 |
0.6333 | Remote Similarity | NPC473724 |
0.6331 | Remote Similarity | NPC471485 |
0.632 | Remote Similarity | NPC23167 |
0.632 | Remote Similarity | NPC184169 |
0.6319 | Remote Similarity | NPC196371 |
0.6319 | Remote Similarity | NPC47769 |
0.6319 | Remote Similarity | NPC135103 |
0.6312 | Remote Similarity | NPC193067 |
0.6312 | Remote Similarity | NPC281277 |
0.6312 | Remote Similarity | NPC221049 |
0.6304 | Remote Similarity | NPC280382 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC474536 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 |
---|---|---|---|
0.7302 | Intermediate Similarity | NPD9244 | Approved |
0.6642 | Remote Similarity | NPD3022 | Approved |
0.6642 | Remote Similarity | NPD3021 | Approved |
0.6544 | Remote Similarity | NPD228 | Approved |
0.6377 | Remote Similarity | NPD9379 | Approved |
0.6377 | Remote Similarity | NPD9377 | Approved |
0.6341 | Remote Similarity | NPD111 | Approved |
0.6232 | Remote Similarity | NPD9280 | Clinical (unspecified phase) |
0.6165 | Remote Similarity | NPD1242 | Phase 1 |
0.6154 | Remote Similarity | NPD2934 | Approved |
0.6154 | Remote Similarity | NPD1432 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD2933 | Approved |
0.6107 | Remote Similarity | NPD2859 | Approved |
0.6107 | Remote Similarity | NPD2860 | Approved |
0.6107 | Remote Similarity | NPD844 | Approved |
0.609 | Remote Similarity | NPD3020 | Approved |
0.6082 | Remote Similarity | NPD4010 | Discontinued |
0.6061 | Remote Similarity | NPD288 | Approved |
0.6053 | Remote Similarity | NPD1223 | Clinical (unspecified phase) |
0.6053 | Remote Similarity | NPD9718 | Approved |
0.6045 | Remote Similarity | NPD289 | Clinical (unspecified phase) |
0.6027 | Remote Similarity | NPD9381 | Approved |
0.6027 | Remote Similarity | NPD9384 | Approved |
0.5987 | Remote Similarity | NPD7742 | Approved |
0.5987 | Remote Similarity | NPD7743 | Approved |
0.5973 | Remote Similarity | NPD4379 | Clinical (unspecified phase) |
0.5973 | Remote Similarity | NPD9622 | Approved |
0.5933 | Remote Similarity | NPD9634 | Clinical (unspecified phase) |
0.5912 | Remote Similarity | NPD3540 | Phase 1 |
0.5906 | Remote Similarity | NPD2337 | Clinical (unspecified phase) |
0.5894 | Remote Similarity | NPD3055 | Approved |
0.5894 | Remote Similarity | NPD3053 | Approved |
0.5894 | Remote Similarity | NPD4339 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD846 | Approved |
0.5882 | Remote Similarity | NPD940 | Approved |
0.5878 | Remote Similarity | NPD3143 | Discontinued |
0.5865 | Remote Similarity | NPD1809 | Phase 2 |
0.5855 | Remote Similarity | NPD258 | Approved |
0.5855 | Remote Similarity | NPD257 | Approved |
0.5855 | Remote Similarity | NPD9619 | Approved |
0.5855 | Remote Similarity | NPD9621 | Approved |
0.5855 | Remote Similarity | NPD9620 | Approved |
0.585 | Remote Similarity | NPD1357 | Approved |
0.5849 | Remote Similarity | NPD3539 | Phase 1 |
0.5839 | Remote Similarity | NPD9500 | Approved |
0.5833 | Remote Similarity | NPD475 | Phase 2 |
0.5828 | Remote Similarity | NPD5311 | Approved |
0.5828 | Remote Similarity | NPD5310 | Approved |
0.5817 | Remote Similarity | NPD9494 | Approved |
0.5786 | Remote Similarity | NPD1169 | Approved |
0.5743 | Remote Similarity | NPD4235 | Clinical (unspecified phase) |
0.5742 | Remote Similarity | NPD3027 | Phase 3 |
0.5714 | Remote Similarity | NPD1445 | Approved |
0.5714 | Remote Similarity | NPD1444 | Approved |
0.5714 | Remote Similarity | NPD845 | Approved |
0.5714 | Remote Similarity | NPD1530 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD9569 | Approved |
0.5705 | Remote Similarity | NPD597 | Approved |
0.5705 | Remote Similarity | NPD601 | Approved |
0.5705 | Remote Similarity | NPD3145 | Approved |
0.5705 | Remote Similarity | NPD3144 | Approved |
0.5705 | Remote Similarity | NPD598 | Approved |
0.5704 | Remote Similarity | NPD4750 | Phase 3 |
0.5695 | Remote Similarity | NPD9269 | Phase 2 |
0.5692 | Remote Similarity | NPD9094 | Approved |
0.5683 | Remote Similarity | NPD9608 | Approved |
0.5683 | Remote Similarity | NPD9610 | Approved |
0.5677 | Remote Similarity | NPD1529 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD7330 | Discontinued |
0.5672 | Remote Similarity | NPD9296 | Approved |
0.5669 | Remote Similarity | NPD259 | Phase 1 |
0.5669 | Remote Similarity | NPD2674 | Phase 3 |
0.5669 | Remote Similarity | NPD1136 | Approved |
0.5669 | Remote Similarity | NPD1130 | Approved |
0.5669 | Remote Similarity | NPD1132 | Approved |
0.5655 | Remote Similarity | NPD5283 | Phase 1 |
0.5641 | Remote Similarity | NPD9537 | Phase 1 |
0.5641 | Remote Similarity | NPD9536 | Phase 1 |
0.5633 | Remote Similarity | NPD825 | Approved |
0.5633 | Remote Similarity | NPD3619 | Clinical (unspecified phase) |
0.5633 | Remote Similarity | NPD826 | Approved |
0.5633 | Remote Similarity | NPD3620 | Phase 2 |
0.5633 | Remote Similarity | NPD1558 | Phase 1 |
0.5629 | Remote Similarity | NPD3092 | Approved |
0.5621 | Remote Similarity | NPD3111 | Phase 1 |
0.5616 | Remote Similarity | NPD9299 | Approved |
0.5605 | Remote Similarity | NPD2028 | Clinical (unspecified phase) |
PubChem CID   | 11267923 |
ChEMBL   | CHEMBL471277 |
ZINC   |
Molecular Weight:   | 341.86 |
ALogP:   | 0.4497 |
MLogP:   | 1.68 |
XLogP:   | 0.863 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 76.74 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 2 |
# Rings:   | 1 |
# Heavy Atoms:   | 14 |