Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1864 | Cell Line | L5178Y | Mus musculus | IC50 | = | 1800 | nM | 17420206 |
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 NPC72688 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 |
---|---|---|
0.9208 | High Similarity | NPC34193 |
0.9074 | High Similarity | NPC176336 |
0.8519 | High Similarity | NPC24596 |
0.8333 | Intermediate Similarity | NPC185929 |
0.7478 | Intermediate Similarity | NPC175585 |
0.7381 | Intermediate Similarity | NPC119326 |
0.713 | Intermediate Similarity | NPC236322 |
0.6923 | Remote Similarity | NPC230677 |
0.6838 | Remote Similarity | NPC469958 |
0.6786 | Remote Similarity | NPC476754 |
0.6765 | Remote Similarity | NPC1254 |
0.6754 | Remote Similarity | NPC184033 |
0.6696 | Remote Similarity | NPC476752 |
0.6696 | Remote Similarity | NPC476753 |
0.6581 | Remote Similarity | NPC474001 |
0.6571 | Remote Similarity | NPC27817 |
0.6529 | Remote Similarity | NPC476919 |
0.6525 | Remote Similarity | NPC152718 |
0.6525 | Remote Similarity | NPC58200 |
0.6525 | Remote Similarity | NPC226509 |
0.6509 | Remote Similarity | NPC108955 |
0.6486 | Remote Similarity | NPC116231 |
0.6481 | Remote Similarity | NPC21667 |
0.6449 | Remote Similarity | NPC99308 |
0.6449 | Remote Similarity | NPC55869 |
0.6414 | Remote Similarity | NPC2672 |
0.6364 | Remote Similarity | NPC311769 |
0.6364 | Remote Similarity | NPC182106 |
0.6364 | Remote Similarity | NPC476328 |
0.6355 | Remote Similarity | NPC287063 |
0.6306 | Remote Similarity | NPC472161 |
0.6296 | Remote Similarity | NPC470034 |
0.6296 | Remote Similarity | NPC475863 |
0.6286 | Remote Similarity | NPC110725 |
0.626 | Remote Similarity | NPC476920 |
0.626 | Remote Similarity | NPC476276 |
0.6216 | Remote Similarity | NPC8518 |
0.6216 | Remote Similarity | NPC33881 |
0.6216 | Remote Similarity | NPC263997 |
0.6216 | Remote Similarity | NPC132228 |
0.6202 | Remote Similarity | NPC474006 |
0.6195 | Remote Similarity | NPC259252 |
0.6194 | Remote Similarity | NPC317654 |
0.6194 | Remote Similarity | NPC96010 |
0.6182 | Remote Similarity | NPC53733 |
0.6168 | Remote Similarity | NPC189485 |
0.6147 | Remote Similarity | NPC225515 |
0.6132 | Remote Similarity | NPC92080 |
0.6129 | Remote Similarity | NPC476918 |
0.6121 | Remote Similarity | NPC247316 |
0.6098 | Remote Similarity | NPC476926 |
0.6091 | Remote Similarity | NPC103486 |
0.6078 | Remote Similarity | NPC188292 |
0.6078 | Remote Similarity | NPC260474 |
0.6071 | Remote Similarity | NPC6185 |
0.6071 | Remote Similarity | NPC241512 |
0.6066 | Remote Similarity | NPC98765 |
0.6055 | Remote Similarity | NPC250632 |
0.6036 | Remote Similarity | NPC105803 |
0.6033 | Remote Similarity | NPC77703 |
0.6019 | Remote Similarity | NPC30321 |
0.6 | Remote Similarity | NPC249312 |
0.6 | Remote Similarity | NPC475833 |
0.6 | Remote Similarity | NPC474085 |
0.5981 | Remote Similarity | NPC292589 |
0.5981 | Remote Similarity | NPC112680 |
0.5968 | Remote Similarity | NPC195841 |
0.5968 | Remote Similarity | NPC233256 |
0.595 | Remote Similarity | NPC477964 |
0.5948 | Remote Similarity | NPC473056 |
0.5946 | Remote Similarity | NPC3511 |
0.5946 | Remote Similarity | NPC142253 |
0.5938 | Remote Similarity | NPC124358 |
0.5932 | Remote Similarity | NPC23170 |
0.5929 | Remote Similarity | NPC33663 |
0.5929 | Remote Similarity | NPC255174 |
0.5929 | Remote Similarity | NPC474680 |
0.5929 | Remote Similarity | NPC469993 |
0.5922 | Remote Similarity | NPC310992 |
0.5922 | Remote Similarity | NPC87141 |
0.5917 | Remote Similarity | NPC472162 |
0.5917 | Remote Similarity | NPC474164 |
0.5909 | Remote Similarity | NPC2482 |
0.5906 | Remote Similarity | NPC80738 |
0.5882 | Remote Similarity | NPC147232 |
0.5878 | Remote Similarity | NPC477121 |
0.5877 | Remote Similarity | NPC472136 |
0.5873 | Remote Similarity | NPC220730 |
0.5868 | Remote Similarity | NPC140685 |
0.5865 | Remote Similarity | NPC474060 |
0.5865 | Remote Similarity | NPC256846 |
0.5862 | Remote Similarity | NPC68148 |
0.5862 | Remote Similarity | NPC112454 |
0.5862 | Remote Similarity | NPC65615 |
0.5856 | Remote Similarity | NPC116797 |
0.5856 | Remote Similarity | NPC278459 |
0.5854 | Remote Similarity | NPC176012 |
0.5849 | Remote Similarity | NPC470044 |
0.5849 | Remote Similarity | NPC474228 |
0.5849 | Remote Similarity | NPC470045 |
0.5849 | Remote Similarity | NPC303613 |
0.5847 | Remote Similarity | NPC263780 |
0.5841 | Remote Similarity | NPC87552 |
0.5839 | Remote Similarity | NPC473249 |
0.5833 | Remote Similarity | NPC26504 |
0.5833 | Remote Similarity | NPC247220 |
0.5827 | Remote Similarity | NPC274895 |
0.5827 | Remote Similarity | NPC472192 |
0.5816 | Remote Similarity | NPC476158 |
0.581 | Remote Similarity | NPC2634 |
0.581 | Remote Similarity | NPC265782 |
0.581 | Remote Similarity | NPC251929 |
0.5804 | Remote Similarity | NPC472239 |
0.5804 | Remote Similarity | NPC472867 |
0.5797 | Remote Similarity | NPC478136 |
0.5794 | Remote Similarity | NPC476756 |
0.5794 | Remote Similarity | NPC244982 |
0.5789 | Remote Similarity | NPC133652 |
0.5789 | Remote Similarity | NPC8571 |
0.5789 | Remote Similarity | NPC35037 |
0.5789 | Remote Similarity | NPC76283 |
0.5789 | Remote Similarity | NPC474537 |
0.5789 | Remote Similarity | NPC32037 |
0.5784 | Remote Similarity | NPC251118 |
0.5772 | Remote Similarity | NPC476922 |
0.5766 | Remote Similarity | NPC476809 |
0.5766 | Remote Similarity | NPC18955 |
0.5763 | Remote Similarity | NPC470036 |
0.5763 | Remote Similarity | NPC174167 |
0.576 | Remote Similarity | NPC476921 |
0.5755 | Remote Similarity | NPC190035 |
0.5755 | Remote Similarity | NPC54123 |
0.5752 | Remote Similarity | NPC470015 |
0.5752 | Remote Similarity | NPC168188 |
0.5752 | Remote Similarity | NPC41539 |
0.5741 | Remote Similarity | NPC476346 |
0.5741 | Remote Similarity | NPC175079 |
0.5739 | Remote Similarity | NPC475022 |
0.5739 | Remote Similarity | NPC118648 |
0.5739 | Remote Similarity | NPC94666 |
0.5739 | Remote Similarity | NPC222613 |
0.5727 | Remote Similarity | NPC476808 |
0.5727 | Remote Similarity | NPC471409 |
0.5727 | Remote Similarity | NPC275494 |
0.5727 | Remote Similarity | NPC74410 |
0.5714 | Remote Similarity | NPC473217 |
0.5714 | Remote Similarity | NPC211230 |
0.5714 | Remote Similarity | NPC44963 |
0.5714 | Remote Similarity | NPC472684 |
0.5714 | Remote Similarity | NPC139397 |
0.5714 | Remote Similarity | NPC471898 |
0.5714 | Remote Similarity | NPC189237 |
0.5714 | Remote Similarity | NPC121984 |
0.5702 | Remote Similarity | NPC473246 |
0.5702 | Remote Similarity | NPC144258 |
0.5702 | Remote Similarity | NPC237712 |
0.5701 | Remote Similarity | NPC180015 |
0.5701 | Remote Similarity | NPC56747 |
0.5701 | Remote Similarity | NPC109576 |
0.5701 | Remote Similarity | NPC130016 |
0.5701 | Remote Similarity | NPC251705 |
0.569 | Remote Similarity | NPC470523 |
0.5688 | Remote Similarity | NPC69408 |
0.5688 | Remote Similarity | NPC180886 |
0.5688 | Remote Similarity | NPC470525 |
0.568 | Remote Similarity | NPC474563 |
0.5678 | Remote Similarity | NPC474209 |
0.5678 | Remote Similarity | NPC475823 |
0.5678 | Remote Similarity | NPC84171 |
0.5676 | Remote Similarity | NPC90965 |
0.5676 | Remote Similarity | NPC170793 |
0.5676 | Remote Similarity | NPC472490 |
0.5676 | Remote Similarity | NPC192329 |
0.5667 | Remote Similarity | NPC474882 |
0.5667 | Remote Similarity | NPC474328 |
0.5667 | Remote Similarity | NPC201899 |
0.5667 | Remote Similarity | NPC471674 |
0.5664 | Remote Similarity | NPC320514 |
0.5664 | Remote Similarity | NPC260956 |
0.566 | Remote Similarity | NPC159577 |
0.566 | Remote Similarity | NPC307176 |
0.566 | Remote Similarity | NPC35734 |
0.566 | Remote Similarity | NPC260040 |
0.566 | Remote Similarity | NPC282593 |
0.5656 | Remote Similarity | NPC472166 |
0.5652 | Remote Similarity | NPC11711 |
0.5652 | Remote Similarity | NPC94531 |
0.5652 | Remote Similarity | NPC123319 |
0.5652 | Remote Similarity | NPC469948 |
0.5652 | Remote Similarity | NPC472931 |
0.5652 | Remote Similarity | NPC311702 |
0.5652 | Remote Similarity | NPC472940 |
0.5652 | Remote Similarity | NPC29447 |
0.5649 | Remote Similarity | NPC5485 |
0.5648 | Remote Similarity | NPC219232 |
0.5648 | Remote Similarity | NPC255021 |
0.5648 | Remote Similarity | NPC128346 |
0.5648 | Remote Similarity | NPC147438 |
0.5648 | Remote Similarity | NPC309852 |
0.5641 | Remote Similarity | NPC58271 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC72688 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 |
---|---|---|---|
0.6636 | Remote Similarity | NPD3527 | Clinical (unspecified phase) |
0.6204 | Remote Similarity | NPD4695 | Discontinued |
0.6183 | Remote Similarity | NPD7739 | Clinical (unspecified phase) |
0.6015 | Remote Similarity | NPD7623 | Phase 3 |
0.6015 | Remote Similarity | NPD7624 | Clinical (unspecified phase) |
0.5877 | Remote Similarity | NPD5690 | Phase 2 |
0.5865 | Remote Similarity | NPD7299 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.5856 | Remote Similarity | NPD8028 | Phase 2 |
0.5839 | Remote Similarity | NPD7747 | Phase 1 |
0.5839 | Remote Similarity | NPD7746 | Phase 1 |
0.5827 | Remote Similarity | NPD7751 | Phase 1 |
0.581 | Remote Similarity | NPD4691 | Approved |
0.5794 | Remote Similarity | NPD5733 | Approved |
0.5789 | Remote Similarity | NPD5329 | Approved |
0.576 | Remote Similarity | NPD7812 | Clinical (unspecified phase) |
0.5739 | Remote Similarity | NPD5280 | Approved |
0.5739 | Remote Similarity | NPD4694 | Approved |
0.5727 | Remote Similarity | NPD3617 | Approved |
0.5714 | Remote Similarity | NPD4137 | Phase 3 |
0.5702 | Remote Similarity | NPD4197 | Approved |
0.5672 | Remote Similarity | NPD7517 | Approved |
0.5672 | Remote Similarity | NPD7519 | Approved |
0.5672 | Remote Similarity | NPD7518 | Approved |
0.566 | Remote Similarity | NPD4747 | Approved |
0.5659 | Remote Similarity | NPD5135 | Approved |
0.5659 | Remote Similarity | NPD5134 | Clinical (unspecified phase) |
0.5648 | Remote Similarity | NPD4687 | Approved |
0.5648 | Remote Similarity | NPD4058 | Approved |
0.563 | Remote Similarity | NPD7148 | Clinical (unspecified phase) |
0.563 | Remote Similarity | NPD7147 | Phase 3 |
0.5607 | Remote Similarity | NPD5276 | Approved |
0.5603 | Remote Similarity | NPD5279 | Phase 3 |
PubChem CID   | |
ChEMBL   | CHEMBL3108787 |
ZINC   |
Molecular Weight:   | 431.25 |
ALogP:   | 1.85 |
MLogP:   | 3.66 |
XLogP:   | 7.885 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 91.7 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 3 |
# Heavy Atoms:   | 30 |