Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT189 | Cell Line | Vero | Chlorocebus aethiops | TC50 | = | 115.14 | nM | 17850214 |
NPT3119 | Organism | Human coxsackievirus B3 | Human coxsackievirus B3 | IC50 | = | 26620 | nM | 16933872 |
NPT3119 | Organism | Human coxsackievirus B3 | Human coxsackievirus B3 | Ratio IC50 | = | 45 | 25856683 |
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 NPC472856 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 |
---|---|---|
0.9588 | High Similarity | NPC100810 |
0.9588 | High Similarity | NPC144714 |
0.9278 | High Similarity | NPC91036 |
0.8571 | High Similarity | NPC145707 |
0.8041 | Intermediate Similarity | NPC207048 |
0.7526 | Intermediate Similarity | NPC127430 |
0.7526 | Intermediate Similarity | NPC120699 |
0.7157 | Intermediate Similarity | NPC78058 |
0.7157 | Intermediate Similarity | NPC234822 |
0.7157 | Intermediate Similarity | NPC135639 |
0.7157 | Intermediate Similarity | NPC143344 |
0.7157 | Intermediate Similarity | NPC61321 |
0.7143 | Intermediate Similarity | NPC308050 |
0.6931 | Remote Similarity | NPC209232 |
0.6818 | Remote Similarity | NPC119225 |
0.6818 | Remote Similarity | NPC25033 |
0.6818 | Remote Similarity | NPC470382 |
0.6818 | Remote Similarity | NPC471635 |
0.6818 | Remote Similarity | NPC476261 |
0.6792 | Remote Similarity | NPC168017 |
0.6667 | Remote Similarity | NPC178632 |
0.6442 | Remote Similarity | NPC476560 |
0.6436 | Remote Similarity | NPC34672 |
0.641 | Remote Similarity | NPC473254 |
0.6408 | Remote Similarity | NPC473446 |
0.6408 | Remote Similarity | NPC473695 |
0.6356 | Remote Similarity | NPC477000 |
0.6356 | Remote Similarity | NPC477001 |
0.6355 | Remote Similarity | NPC475975 |
0.6348 | Remote Similarity | NPC270813 |
0.6346 | Remote Similarity | NPC268580 |
0.6337 | Remote Similarity | NPC470993 |
0.6337 | Remote Similarity | NPC470992 |
0.6311 | Remote Similarity | NPC244256 |
0.6311 | Remote Similarity | NPC86452 |
0.6293 | Remote Similarity | NPC316730 |
0.6275 | Remote Similarity | NPC63284 |
0.6262 | Remote Similarity | NPC124359 |
0.626 | Remote Similarity | NPC247902 |
0.626 | Remote Similarity | NPC262880 |
0.6239 | Remote Similarity | NPC77703 |
0.6218 | Remote Similarity | NPC75523 |
0.6214 | Remote Similarity | NPC320667 |
0.6214 | Remote Similarity | NPC214125 |
0.6186 | Remote Similarity | NPC473289 |
0.6134 | Remote Similarity | NPC318544 |
0.6111 | Remote Similarity | NPC288629 |
0.6083 | Remote Similarity | NPC470073 |
0.5906 | Remote Similarity | NPC474984 |
0.5903 | Remote Similarity | NPC276822 |
0.5893 | Remote Similarity | NPC324506 |
0.5888 | Remote Similarity | NPC267203 |
0.5888 | Remote Similarity | NPC77890 |
0.5888 | Remote Similarity | NPC132858 |
0.5878 | Remote Similarity | NPC315188 |
0.5873 | Remote Similarity | NPC474995 |
0.5872 | Remote Similarity | NPC255430 |
0.5842 | Remote Similarity | NPC23721 |
0.5827 | Remote Similarity | NPC478137 |
0.582 | Remote Similarity | NPC133420 |
0.5806 | Remote Similarity | NPC476276 |
0.5806 | Remote Similarity | NPC207820 |
0.5785 | Remote Similarity | NPC247060 |
0.5785 | Remote Similarity | NPC50815 |
0.5781 | Remote Similarity | NPC272166 |
0.578 | Remote Similarity | NPC226982 |
0.578 | Remote Similarity | NPC277341 |
0.5766 | Remote Similarity | NPC41162 |
0.5763 | Remote Similarity | NPC289140 |
0.576 | Remote Similarity | NPC274895 |
0.5748 | Remote Similarity | NPC469865 |
0.5741 | Remote Similarity | NPC90839 |
0.5739 | Remote Similarity | NPC17143 |
0.5739 | Remote Similarity | NPC47230 |
0.5714 | Remote Similarity | NPC475646 |
0.5691 | Remote Similarity | NPC475239 |
0.5682 | Remote Similarity | NPC477140 |
0.5682 | Remote Similarity | NPC477143 |
0.5682 | Remote Similarity | NPC13351 |
0.568 | Remote Similarity | NPC159367 |
0.568 | Remote Similarity | NPC470072 |
0.566 | Remote Similarity | NPC80447 |
0.5656 | Remote Similarity | NPC471083 |
0.5649 | Remote Similarity | NPC470300 |
0.5649 | Remote Similarity | NPC474006 |
0.5645 | Remote Similarity | NPC55462 |
0.5645 | Remote Similarity | NPC476328 |
0.5625 | Remote Similarity | NPC116881 |
0.5625 | Remote Similarity | NPC314550 |
0.5625 | Remote Similarity | NPC57163 |
0.5614 | Remote Similarity | NPC473525 |
0.561 | Remote Similarity | NPC476877 |
0.5606 | Remote Similarity | NPC470788 |
0.5603 | Remote Similarity | NPC99864 |
0.5603 | Remote Similarity | NPC473056 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC472856 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 |
---|---|---|---|
0.5888 | Remote Similarity | NPD529 | Approved |
0.5827 | Remote Similarity | NPD1376 | Discontinued |
0.5781 | Remote Similarity | NPD1000 | Clinical (unspecified phase) |
0.5772 | Remote Similarity | NPD7333 | Discontinued |
0.563 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.5603 | Remote Similarity | NPD8415 | Approved |
PubChem CID   | |
ChEMBL   | CHEMBL3590536 |
ZINC   |
Molecular Weight:   | 278.16 |
ALogP:   | |
MLogP:   | 2.56 |
XLogP:   | |
# Rotatable Bonds:   | 1 |
Polar Surface Area:   | 57.61 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 20 |