Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT851 | Organism | Colletotrichum fragariae | Colletotrichum fragariae | IZ | = | 4 | mm | 10479318 |
NPT562 | Organism | Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | IZ | = | 7 | mm | 15921425 |
NPT851 | Organism | Colletotrichum fragariae | Colletotrichum fragariae | IC50 | = | 91000 | nM | 10843598 |
NPT851 | Organism | Colletotrichum fragariae | Colletotrichum fragariae | IC50 | > | 333000 | nM | 25894905 |
NPT6555 | Individual Protein | Aldehyde dehydrogenase 1, mitochondrial | Saccharomyces cerevisiae | Inhibition | < | 50 | % | 21456549 |
NPT2241 | Organism | Glomerella acutata | Glomerella acutata | IC50 | > | 333000 | nM | 22194678 |
NPT1095 | Organism | Plasmopara viticola | Plasmopara viticola | IC50 | = | 65000 | nM | PubChem BioAssay data set |
NPT2241 | Organism | Glomerella acutata | Glomerella acutata | IZ | = | 8 | mm | 24328302 |
NPT851 | Organism | Colletotrichum fragariae | Colletotrichum fragariae | IZ | = | 6 | mm | 24328302 |
NPT852 | Organism | Phomopsis obscurans | Phomopsis obscurans | IC50 | = | 23000 | nM | 10.1007/s00044-007-9020-0 |
NPT635 | Organism | Botryotinia fuckeliana | Botryotinia fuckeliana | IC50 | > | 333000 | nM | 15332848 |
NPT1095 | Organism | Plasmopara viticola | Plasmopara viticola | IC50 | = | 110000 | nM | 24210499 |
NPT2241 | Organism | Glomerella acutata | Glomerella acutata | IZ | = | 17 | mm | 24210499 |
NPT2241 | Organism | Glomerella acutata | Glomerella acutata | IC50 | > | 333000 | nM | 15341957 |
NPT635 | Organism | Botryotinia fuckeliana | Botryotinia fuckeliana | IC50 | = | 90000 | nM | 26331334 |
NPT562 | Organism | Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | IC50 | > | 333000 | nM | 17958396 |
NPT637 | Organism | Fusarium oxysporum | Fusarium oxysporum | IC50 | > | 333000 | nM | 17958396 |
NPT637 | Organism | Fusarium oxysporum | Fusarium oxysporum | IC50 | > | 333000 | nM | Open TG-GATES in vivo data: Biochemistry |
NPT562 | Organism | Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | IC50 | > | 333000 | nM | 16643040 |
NPT562 | Organism | Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | IZ | = | 6 | mm | 22568524 |
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 NPC251042 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 | NPC122521 |
1.0 | High Similarity | NPC174447 |
0.9825 | High Similarity | NPC40082 |
0.9474 | High Similarity | NPC274927 |
0.9474 | High Similarity | NPC106851 |
0.931 | High Similarity | NPC235242 |
0.9286 | High Similarity | NPC325977 |
0.8947 | High Similarity | NPC477201 |
0.8947 | High Similarity | NPC18951 |
0.8929 | High Similarity | NPC322461 |
0.8814 | High Similarity | NPC329550 |
0.8793 | High Similarity | NPC225929 |
0.875 | High Similarity | NPC294548 |
0.875 | High Similarity | NPC36061 |
0.875 | High Similarity | NPC139029 |
0.875 | High Similarity | NPC143396 |
0.875 | High Similarity | NPC1813 |
0.8596 | High Similarity | NPC88966 |
0.8596 | High Similarity | NPC261831 |
0.8596 | High Similarity | NPC154245 |
0.8596 | High Similarity | NPC32467 |
0.8596 | High Similarity | NPC25417 |
0.8596 | High Similarity | NPC290563 |
0.8596 | High Similarity | NPC87564 |
0.8596 | High Similarity | NPC6095 |
0.8596 | High Similarity | NPC424 |
0.8596 | High Similarity | NPC281972 |
0.8596 | High Similarity | NPC85813 |
0.8571 | High Similarity | NPC281245 |
0.8421 | Intermediate Similarity | NPC70387 |
0.8421 | Intermediate Similarity | NPC321062 |
0.8361 | Intermediate Similarity | NPC143857 |
0.8361 | Intermediate Similarity | NPC229252 |
0.8333 | Intermediate Similarity | NPC34416 |
0.8308 | Intermediate Similarity | NPC476614 |
0.8305 | Intermediate Similarity | NPC187777 |
0.8305 | Intermediate Similarity | NPC179764 |
0.8246 | Intermediate Similarity | NPC92114 |
0.8235 | Intermediate Similarity | NPC474321 |
0.8214 | Intermediate Similarity | NPC224227 |
0.8209 | Intermediate Similarity | NPC288667 |
0.8136 | Intermediate Similarity | NPC473863 |
0.8136 | Intermediate Similarity | NPC274290 |
0.8136 | Intermediate Similarity | NPC228473 |
0.8136 | Intermediate Similarity | NPC54766 |
0.8125 | Intermediate Similarity | NPC245947 |
0.8125 | Intermediate Similarity | NPC326268 |
0.8125 | Intermediate Similarity | NPC136164 |
0.8125 | Intermediate Similarity | NPC255863 |
0.8125 | Intermediate Similarity | NPC318420 |
0.807 | Intermediate Similarity | NPC262968 |
0.8065 | Intermediate Similarity | NPC243532 |
0.8036 | Intermediate Similarity | NPC5413 |
0.8036 | Intermediate Similarity | NPC149821 |
0.8 | Intermediate Similarity | NPC308294 |
0.8 | Intermediate Similarity | NPC142423 |
0.7971 | Intermediate Similarity | NPC227396 |
0.7937 | Intermediate Similarity | NPC201939 |
0.7895 | Intermediate Similarity | NPC59051 |
0.7857 | Intermediate Similarity | NPC207292 |
0.7857 | Intermediate Similarity | NPC180534 |
0.7812 | Intermediate Similarity | NPC477707 |
0.7812 | Intermediate Similarity | NPC322457 |
0.7812 | Intermediate Similarity | NPC477830 |
0.7797 | Intermediate Similarity | NPC139545 |
0.7797 | Intermediate Similarity | NPC309606 |
0.7797 | Intermediate Similarity | NPC39633 |
0.7759 | Intermediate Similarity | NPC477458 |
0.7692 | Intermediate Similarity | NPC68343 |
0.7692 | Intermediate Similarity | NPC328089 |
0.7692 | Intermediate Similarity | NPC470320 |
0.7647 | Intermediate Similarity | NPC236208 |
0.7627 | Intermediate Similarity | NPC18357 |
0.7581 | Intermediate Similarity | NPC281230 |
0.7581 | Intermediate Similarity | NPC192843 |
0.7544 | Intermediate Similarity | NPC91495 |
0.7541 | Intermediate Similarity | NPC28779 |
0.7541 | Intermediate Similarity | NPC52264 |
0.7541 | Intermediate Similarity | NPC223677 |
0.7541 | Intermediate Similarity | NPC10316 |
0.7541 | Intermediate Similarity | NPC128061 |
0.7541 | Intermediate Similarity | NPC200845 |
0.7538 | Intermediate Similarity | NPC143168 |
0.7538 | Intermediate Similarity | NPC53109 |
0.7536 | Intermediate Similarity | NPC476660 |
0.75 | Intermediate Similarity | NPC71761 |
0.75 | Intermediate Similarity | NPC117572 |
0.75 | Intermediate Similarity | NPC328311 |
0.75 | Intermediate Similarity | NPC327112 |
0.746 | Intermediate Similarity | NPC267817 |
0.7458 | Intermediate Similarity | NPC28205 |
0.7458 | Intermediate Similarity | NPC470412 |
0.7458 | Intermediate Similarity | NPC470410 |
0.7458 | Intermediate Similarity | NPC284212 |
0.7424 | Intermediate Similarity | NPC226592 |
0.7424 | Intermediate Similarity | NPC7029 |
0.7391 | Intermediate Similarity | NPC67608 |
0.7391 | Intermediate Similarity | NPC473772 |
0.7391 | Intermediate Similarity | NPC262673 |
0.7385 | Intermediate Similarity | NPC320305 |
0.7385 | Intermediate Similarity | NPC328776 |
0.7385 | Intermediate Similarity | NPC321838 |
0.7385 | Intermediate Similarity | NPC174560 |
0.7385 | Intermediate Similarity | NPC125312 |
0.7377 | Intermediate Similarity | NPC87394 |
0.7377 | Intermediate Similarity | NPC137538 |
0.7361 | Intermediate Similarity | NPC260396 |
0.7353 | Intermediate Similarity | NPC22101 |
0.7353 | Intermediate Similarity | NPC104537 |
0.7353 | Intermediate Similarity | NPC148192 |
0.7353 | Intermediate Similarity | NPC60120 |
0.7353 | Intermediate Similarity | NPC271921 |
0.7353 | Intermediate Similarity | NPC330426 |
0.7353 | Intermediate Similarity | NPC26500 |
0.7353 | Intermediate Similarity | NPC99619 |
0.7353 | Intermediate Similarity | NPC127091 |
0.7297 | Intermediate Similarity | NPC192006 |
0.7288 | Intermediate Similarity | NPC474391 |
0.7286 | Intermediate Similarity | NPC291062 |
0.7286 | Intermediate Similarity | NPC42526 |
0.7286 | Intermediate Similarity | NPC318766 |
0.7286 | Intermediate Similarity | NPC94743 |
0.7246 | Intermediate Similarity | NPC141481 |
0.7246 | Intermediate Similarity | NPC53302 |
0.7246 | Intermediate Similarity | NPC473559 |
0.7246 | Intermediate Similarity | NPC324981 |
0.7246 | Intermediate Similarity | NPC218477 |
0.7246 | Intermediate Similarity | NPC48218 |
0.7241 | Intermediate Similarity | NPC216130 |
0.7206 | Intermediate Similarity | NPC197089 |
0.7183 | Intermediate Similarity | NPC29328 |
0.7183 | Intermediate Similarity | NPC320119 |
0.7167 | Intermediate Similarity | NPC48162 |
0.7143 | Intermediate Similarity | NPC472808 |
0.7143 | Intermediate Similarity | NPC324224 |
0.7143 | Intermediate Similarity | NPC469914 |
0.7143 | Intermediate Similarity | NPC317583 |
0.7121 | Intermediate Similarity | NPC477829 |
0.7101 | Intermediate Similarity | NPC475443 |
0.7101 | Intermediate Similarity | NPC243272 |
0.7101 | Intermediate Similarity | NPC473829 |
0.7101 | Intermediate Similarity | NPC278895 |
0.7097 | Intermediate Similarity | NPC300121 |
0.7083 | Intermediate Similarity | NPC326024 |
0.7083 | Intermediate Similarity | NPC325627 |
0.7077 | Intermediate Similarity | NPC329249 |
0.7067 | Intermediate Similarity | NPC182292 |
0.7067 | Intermediate Similarity | NPC169095 |
0.7067 | Intermediate Similarity | NPC74410 |
0.7059 | Intermediate Similarity | NPC476654 |
0.7059 | Intermediate Similarity | NPC176215 |
0.7059 | Intermediate Similarity | NPC320642 |
0.7059 | Intermediate Similarity | NPC296436 |
0.7059 | Intermediate Similarity | NPC476657 |
0.7059 | Intermediate Similarity | NPC323045 |
0.7059 | Intermediate Similarity | NPC317881 |
0.7059 | Intermediate Similarity | NPC476655 |
0.7051 | Intermediate Similarity | NPC102197 |
0.7049 | Intermediate Similarity | NPC161366 |
0.7042 | Intermediate Similarity | NPC67183 |
0.7027 | Intermediate Similarity | NPC180886 |
0.7027 | Intermediate Similarity | NPC266159 |
0.7027 | Intermediate Similarity | NPC472967 |
0.7015 | Intermediate Similarity | NPC54925 |
0.7 | Intermediate Similarity | NPC134385 |
0.7 | Intermediate Similarity | NPC146376 |
0.7 | Intermediate Similarity | NPC125578 |
0.7 | Intermediate Similarity | NPC263382 |
0.6986 | Remote Similarity | NPC264178 |
0.6986 | Remote Similarity | NPC3753 |
0.6986 | Remote Similarity | NPC237591 |
0.6986 | Remote Similarity | NPC213223 |
0.6986 | Remote Similarity | NPC92558 |
0.6984 | Remote Similarity | NPC45626 |
0.6974 | Remote Similarity | NPC113363 |
0.6974 | Remote Similarity | NPC164308 |
0.6957 | Remote Similarity | NPC83965 |
0.6957 | Remote Similarity | NPC322035 |
0.6957 | Remote Similarity | NPC16119 |
0.6957 | Remote Similarity | NPC100719 |
0.6957 | Remote Similarity | NPC476659 |
0.6957 | Remote Similarity | NPC166791 |
0.6957 | Remote Similarity | NPC476656 |
0.6944 | Remote Similarity | NPC67076 |
0.6944 | Remote Similarity | NPC319163 |
0.6935 | Remote Similarity | NPC284224 |
0.6933 | Remote Similarity | NPC120776 |
0.6933 | Remote Similarity | NPC165711 |
0.6933 | Remote Similarity | NPC240170 |
0.6933 | Remote Similarity | NPC180290 |
0.6933 | Remote Similarity | NPC316324 |
0.6933 | Remote Similarity | NPC97377 |
0.6923 | Remote Similarity | NPC469373 |
0.6923 | Remote Similarity | NPC320421 |
0.6923 | Remote Similarity | NPC302661 |
0.6923 | Remote Similarity | NPC329819 |
0.6923 | Remote Similarity | NPC238991 |
0.6912 | Remote Similarity | NPC234767 |
0.6912 | Remote Similarity | NPC474400 |
0.6912 | Remote Similarity | NPC34622 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC251042 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 |
---|---|---|---|
0.875 | High Similarity | NPD3172 | Approved |
0.8596 | High Similarity | NPD3196 | Approved |
0.8596 | High Similarity | NPD4266 | Approved |
0.8596 | High Similarity | NPD3194 | Approved |
0.8596 | High Similarity | NPD3195 | Phase 2 |
0.807 | Intermediate Similarity | NPD29 | Approved |
0.807 | Intermediate Similarity | NPD28 | Approved |
0.8036 | Intermediate Similarity | NPD3173 | Approved |
0.7857 | Intermediate Similarity | NPD622 | Approved |
0.7692 | Intermediate Similarity | NPD3197 | Phase 1 |
0.7639 | Intermediate Similarity | NPD4756 | Discovery |
0.7538 | Intermediate Similarity | NPD2664 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD3174 | Discontinued |
0.75 | Intermediate Similarity | NPD4222 | Approved |
0.75 | Intermediate Similarity | NPD4246 | Clinical (unspecified phase) |
0.7206 | Intermediate Similarity | NPD7331 | Phase 2 |
0.7193 | Intermediate Similarity | NPD39 | Approved |
0.6957 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6857 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6842 | Remote Similarity | NPD5326 | Phase 3 |
0.6667 | Remote Similarity | NPD5363 | Approved |
0.6571 | Remote Similarity | NPD7341 | Phase 2 |
0.6557 | Remote Similarity | NPD4220 | Pre-registration |
0.6491 | Remote Similarity | NPD2270 | Approved |
0.6479 | Remote Similarity | NPD3704 | Approved |
0.6456 | Remote Similarity | NPD5368 | Approved |
0.6429 | Remote Similarity | NPD9448 | Phase 2 |
0.6429 | Remote Similarity | NPD633 | Phase 3 |
0.641 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6395 | Remote Similarity | NPD5281 | Approved |
0.6395 | Remote Similarity | NPD5284 | Approved |
0.6393 | Remote Similarity | NPD5343 | Approved |
0.6375 | Remote Similarity | NPD5369 | Approved |
0.6296 | Remote Similarity | NPD6435 | Approved |
0.6296 | Remote Similarity | NPD4269 | Approved |
0.6296 | Remote Similarity | NPD4270 | Approved |
0.6279 | Remote Similarity | NPD5785 | Approved |
0.625 | Remote Similarity | NPD4252 | Approved |
0.625 | Remote Similarity | NPD4695 | Discontinued |
0.625 | Remote Similarity | NPD5122 | Clinical (unspecified phase) |
0.6234 | Remote Similarity | NPD8039 | Approved |
0.6212 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.6203 | Remote Similarity | NPD3732 | Approved |
0.6176 | Remote Similarity | NPD6109 | Phase 1 |
0.6167 | Remote Similarity | NPD3199 | Clinical (unspecified phase) |
0.6163 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.6143 | Remote Similarity | NPD4193 | Approved |
0.6143 | Remote Similarity | NPD4194 | Approved |
0.6143 | Remote Similarity | NPD4191 | Approved |
0.6143 | Remote Similarity | NPD4192 | Approved |
0.614 | Remote Similarity | NPD9655 | Approved |
0.6098 | Remote Similarity | NPD5209 | Approved |
0.6087 | Remote Similarity | NPD2066 | Phase 3 |
0.6049 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.6047 | Remote Similarity | NPD4518 | Approved |
0.6024 | Remote Similarity | NPD5362 | Discontinued |
0.6024 | Remote Similarity | NPD7154 | Phase 3 |
0.6 | Remote Similarity | NPD5279 | Phase 3 |
0.6 | Remote Similarity | NPD5786 | Approved |
0.6 | Remote Similarity | NPD4268 | Approved |
0.6 | Remote Similarity | NPD4694 | Approved |
0.6 | Remote Similarity | NPD5280 | Approved |
0.6 | Remote Similarity | NPD4271 | Approved |
0.6 | Remote Similarity | NPD5690 | Phase 2 |
0.5977 | Remote Similarity | NPD6101 | Approved |
0.5977 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5965 | Remote Similarity | NPD3206 | Approved |
0.593 | Remote Similarity | NPD3573 | Approved |
0.5909 | Remote Similarity | NPD5207 | Approved |
0.5904 | Remote Similarity | NPD4221 | Approved |
0.5904 | Remote Similarity | NPD4223 | Phase 3 |
0.5902 | Remote Similarity | NPD6096 | Approved |
0.5902 | Remote Similarity | NPD6097 | Approved |
0.5897 | Remote Similarity | NPD4058 | Approved |
0.5854 | Remote Similarity | NPD4821 | Approved |
0.5854 | Remote Similarity | NPD4820 | Approved |
0.5854 | Remote Similarity | NPD4819 | Approved |
0.5854 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5854 | Remote Similarity | NPD4822 | Approved |
0.5843 | Remote Similarity | NPD7515 | Phase 2 |
0.5843 | Remote Similarity | NPD7983 | Approved |
0.5843 | Remote Similarity | NPD6411 | Approved |
0.5843 | Remote Similarity | NPD5694 | Approved |
0.5824 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD4519 | Discontinued |
0.5814 | Remote Similarity | NPD4623 | Approved |
0.5806 | Remote Similarity | NPD634 | Phase 3 |
0.5795 | Remote Similarity | NPD5347 | Phase 2 |
0.5795 | Remote Similarity | NPD5346 | Phase 2 |
0.5783 | Remote Similarity | NPD226 | Approved |
0.5778 | Remote Similarity | NPD5779 | Approved |
0.5778 | Remote Similarity | NPD5778 | Approved |
0.5765 | Remote Similarity | NPD3665 | Phase 1 |
0.5765 | Remote Similarity | NPD3133 | Approved |
0.5765 | Remote Similarity | NPD4197 | Approved |
0.5765 | Remote Similarity | NPD3666 | Approved |
0.5747 | Remote Similarity | NPD4793 | Discontinued |
0.5733 | Remote Similarity | NPD3709 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD7838 | Discovery |
0.573 | Remote Similarity | NPD4096 | Approved |
0.573 | Remote Similarity | NPD6698 | Approved |
0.573 | Remote Similarity | NPD46 | Approved |
0.573 | Remote Similarity | NPD5692 | Phase 3 |
0.5729 | Remote Similarity | NPD1930 | Approved |
0.5729 | Remote Similarity | NPD1931 | Clinical (unspecified phase) |
0.5729 | Remote Similarity | NPD1929 | Approved |
0.5714 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD7748 | Approved |
0.5698 | Remote Similarity | NPD1694 | Approved |
0.5698 | Remote Similarity | NPD5329 | Approved |
0.5696 | Remote Similarity | NPD4687 | Approved |
0.5676 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD6079 | Approved |
0.5667 | Remote Similarity | NPD6050 | Approved |
0.5652 | Remote Similarity | NPD1693 | Approved |
0.5652 | Remote Similarity | NPD5695 | Phase 3 |
0.5647 | Remote Similarity | NPD9491 | Approved |
0.5647 | Remote Similarity | NPD5332 | Approved |
0.5647 | Remote Similarity | NPD5331 | Approved |
0.5645 | Remote Similarity | NPD2699 | Approved |
0.5641 | Remote Similarity | NPD5276 | Approved |
0.5632 | Remote Similarity | NPD3618 | Phase 1 |
0.5632 | Remote Similarity | NPD4138 | Approved |
0.5632 | Remote Similarity | NPD5205 | Approved |
0.5632 | Remote Similarity | NPD4693 | Phase 3 |
0.5632 | Remote Similarity | NPD7334 | Approved |
0.5632 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.5632 | Remote Similarity | NPD7146 | Approved |
0.5632 | Remote Similarity | NPD5330 | Approved |
0.5632 | Remote Similarity | NPD6409 | Approved |
0.5632 | Remote Similarity | NPD4689 | Approved |
0.5632 | Remote Similarity | NPD4688 | Approved |
0.5632 | Remote Similarity | NPD4690 | Approved |
0.5632 | Remote Similarity | NPD7521 | Approved |
0.5632 | Remote Similarity | NPD6684 | Approved |
0.5625 | Remote Similarity | NPD1932 | Approved |
0.5618 | Remote Similarity | NPD5370 | Suspended |
0.5618 | Remote Similarity | NPD800 | Approved |
0.561 | Remote Similarity | NPD3617 | Approved |
PubChem CID   | 5283011 |
ChEMBL   | CHEMBL465240 |
ZINC   |
Molecular Weight:   | 294.22 |
ALogP:   | -1.6022 |
MLogP:   | 3.11 |
XLogP:   | 5.656 |
# Rotatable Bonds:   | 16 |
Polar Surface Area:   | 54.37 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 21 |