Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT635 | Organism | Botryotinia fuckeliana | Botryotinia fuckeliana | GI | = | 59 | % | 20141173 |
NPT635 | Organism | Botryotinia fuckeliana | Botryotinia fuckeliana | Inhibition | = | 63 | % | 1453182 |
NPT993 | Cell Line | Hepatocyte | Mus musculus | Inhibition | = | 3.6 | % | DrugMatrix in vitro pharmacology data |
NPT993 | Cell Line | Hepatocyte | Mus musculus | Inhibition | = | 13.6 | % | DrugMatrix in vitro pharmacology data |
NPT635 | Organism | Botryotinia fuckeliana | Botryotinia fuckeliana | Inhibition | = | 36 | % | PubChem BioAssay data set |
NPT993 | Cell Line | Hepatocyte | Mus musculus | Inhibition | = | 32.3 | % | 22180047 |
NPT635 | Organism | Botryotinia fuckeliana | Botryotinia fuckeliana | Inhibition | = | 50 | % | 23806109 |
NPT993 | Cell Line | Hepatocyte | Mus musculus | Inhibition | = | 40.2 | % | 12762801 |
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 NPC209686 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 | NPC236099 |
1.0 | High Similarity | NPC249078 |
0.9206 | High Similarity | NPC474756 |
0.9062 | High Similarity | NPC477820 |
0.8923 | High Similarity | NPC232925 |
0.8923 | High Similarity | NPC63588 |
0.8923 | High Similarity | NPC251201 |
0.8657 | High Similarity | NPC470610 |
0.8657 | High Similarity | NPC153719 |
0.8594 | High Similarity | NPC44122 |
0.8571 | High Similarity | NPC159654 |
0.8571 | High Similarity | NPC167995 |
0.8571 | High Similarity | NPC281540 |
0.8571 | High Similarity | NPC118937 |
0.8529 | High Similarity | NPC48795 |
0.8529 | High Similarity | NPC475458 |
0.8529 | High Similarity | NPC304499 |
0.8485 | Intermediate Similarity | NPC129829 |
0.8485 | Intermediate Similarity | NPC66407 |
0.8485 | Intermediate Similarity | NPC254037 |
0.8413 | Intermediate Similarity | NPC114891 |
0.8406 | Intermediate Similarity | NPC317242 |
0.8358 | Intermediate Similarity | NPC192192 |
0.8333 | Intermediate Similarity | NPC3025 |
0.8308 | Intermediate Similarity | NPC142712 |
0.8286 | Intermediate Similarity | NPC163597 |
0.8254 | Intermediate Similarity | NPC71460 |
0.8254 | Intermediate Similarity | NPC95804 |
0.8254 | Intermediate Similarity | NPC185547 |
0.8254 | Intermediate Similarity | NPC218585 |
0.8254 | Intermediate Similarity | NPC148174 |
0.8235 | Intermediate Similarity | NPC1340 |
0.8235 | Intermediate Similarity | NPC252182 |
0.8235 | Intermediate Similarity | NPC187471 |
0.8235 | Intermediate Similarity | NPC127094 |
0.8235 | Intermediate Similarity | NPC470071 |
0.8197 | Intermediate Similarity | NPC29976 |
0.8197 | Intermediate Similarity | NPC150713 |
0.8182 | Intermediate Similarity | NPC473230 |
0.8182 | Intermediate Similarity | NPC48079 |
0.8182 | Intermediate Similarity | NPC475884 |
0.8182 | Intermediate Similarity | NPC63190 |
0.8169 | Intermediate Similarity | NPC128951 |
0.8169 | Intermediate Similarity | NPC185915 |
0.8169 | Intermediate Similarity | NPC302578 |
0.8169 | Intermediate Similarity | NPC105208 |
0.8169 | Intermediate Similarity | NPC192046 |
0.8169 | Intermediate Similarity | NPC477227 |
0.8169 | Intermediate Similarity | NPC476233 |
0.8154 | Intermediate Similarity | NPC243469 |
0.8154 | Intermediate Similarity | NPC474380 |
0.8154 | Intermediate Similarity | NPC41577 |
0.8154 | Intermediate Similarity | NPC473276 |
0.8154 | Intermediate Similarity | NPC475943 |
0.8154 | Intermediate Similarity | NPC190827 |
0.8065 | Intermediate Similarity | NPC476735 |
0.806 | Intermediate Similarity | NPC472741 |
0.8056 | Intermediate Similarity | NPC477817 |
0.8056 | Intermediate Similarity | NPC67657 |
0.8056 | Intermediate Similarity | NPC18857 |
0.8056 | Intermediate Similarity | NPC477819 |
0.8 | Intermediate Similarity | NPC228994 |
0.8 | Intermediate Similarity | NPC69149 |
0.8 | Intermediate Similarity | NPC192501 |
0.8 | Intermediate Similarity | NPC477508 |
0.8 | Intermediate Similarity | NPC10476 |
0.7945 | Intermediate Similarity | NPC287452 |
0.7945 | Intermediate Similarity | NPC269333 |
0.7941 | Intermediate Similarity | NPC241085 |
0.7941 | Intermediate Similarity | NPC107919 |
0.7941 | Intermediate Similarity | NPC299948 |
0.7941 | Intermediate Similarity | NPC470830 |
0.7903 | Intermediate Similarity | NPC236588 |
0.7903 | Intermediate Similarity | NPC135438 |
0.7887 | Intermediate Similarity | NPC231680 |
0.7887 | Intermediate Similarity | NPC243027 |
0.7887 | Intermediate Similarity | NPC196136 |
0.7887 | Intermediate Similarity | NPC91387 |
0.7887 | Intermediate Similarity | NPC270306 |
0.7887 | Intermediate Similarity | NPC158208 |
0.7879 | Intermediate Similarity | NPC472946 |
0.7869 | Intermediate Similarity | NPC277917 |
0.7869 | Intermediate Similarity | NPC89069 |
0.7869 | Intermediate Similarity | NPC283655 |
0.7869 | Intermediate Similarity | NPC178223 |
0.7869 | Intermediate Similarity | NPC166894 |
0.7838 | Intermediate Similarity | NPC78545 |
0.7838 | Intermediate Similarity | NPC71535 |
0.7833 | Intermediate Similarity | NPC36002 |
0.7833 | Intermediate Similarity | NPC102336 |
0.7826 | Intermediate Similarity | NPC231945 |
0.7826 | Intermediate Similarity | NPC282454 |
0.7808 | Intermediate Similarity | NPC472499 |
0.7808 | Intermediate Similarity | NPC471045 |
0.7808 | Intermediate Similarity | NPC472500 |
0.7778 | Intermediate Similarity | NPC477602 |
0.7778 | Intermediate Similarity | NPC470145 |
0.7778 | Intermediate Similarity | NPC473916 |
0.7778 | Intermediate Similarity | NPC477601 |
0.7746 | Intermediate Similarity | NPC472503 |
0.7746 | Intermediate Similarity | NPC308440 |
0.7733 | Intermediate Similarity | NPC469745 |
0.7714 | Intermediate Similarity | NPC157422 |
0.7714 | Intermediate Similarity | NPC100586 |
0.7714 | Intermediate Similarity | NPC195530 |
0.7714 | Intermediate Similarity | NPC157777 |
0.7714 | Intermediate Similarity | NPC473279 |
0.7714 | Intermediate Similarity | NPC131506 |
0.7714 | Intermediate Similarity | NPC478103 |
0.7714 | Intermediate Similarity | NPC109457 |
0.7705 | Intermediate Similarity | NPC53209 |
0.7705 | Intermediate Similarity | NPC202146 |
0.7705 | Intermediate Similarity | NPC32222 |
0.7703 | Intermediate Similarity | NPC24504 |
0.7703 | Intermediate Similarity | NPC476176 |
0.7703 | Intermediate Similarity | NPC476316 |
0.7681 | Intermediate Similarity | NPC324607 |
0.7681 | Intermediate Similarity | NPC321732 |
0.7671 | Intermediate Similarity | NPC474574 |
0.7671 | Intermediate Similarity | NPC133596 |
0.7671 | Intermediate Similarity | NPC202540 |
0.7671 | Intermediate Similarity | NPC11907 |
0.7671 | Intermediate Similarity | NPC64081 |
0.7656 | Intermediate Similarity | NPC475968 |
0.7656 | Intermediate Similarity | NPC95958 |
0.7647 | Intermediate Similarity | NPC253303 |
0.7647 | Intermediate Similarity | NPC269077 |
0.7639 | Intermediate Similarity | NPC131584 |
0.7639 | Intermediate Similarity | NPC139765 |
0.7639 | Intermediate Similarity | NPC103822 |
0.7639 | Intermediate Similarity | NPC186851 |
0.7639 | Intermediate Similarity | NPC159789 |
0.7632 | Intermediate Similarity | NPC296734 |
0.7632 | Intermediate Similarity | NPC470611 |
0.7632 | Intermediate Similarity | NPC475388 |
0.7612 | Intermediate Similarity | NPC300442 |
0.7606 | Intermediate Similarity | NPC473238 |
0.7606 | Intermediate Similarity | NPC232112 |
0.7606 | Intermediate Similarity | NPC472341 |
0.7606 | Intermediate Similarity | NPC310766 |
0.76 | Intermediate Similarity | NPC7479 |
0.76 | Intermediate Similarity | NPC474714 |
0.76 | Intermediate Similarity | NPC470609 |
0.76 | Intermediate Similarity | NPC26117 |
0.76 | Intermediate Similarity | NPC47149 |
0.76 | Intermediate Similarity | NPC248944 |
0.76 | Intermediate Similarity | NPC257296 |
0.7581 | Intermediate Similarity | NPC471269 |
0.7568 | Intermediate Similarity | NPC31828 |
0.7568 | Intermediate Similarity | NPC171426 |
0.7568 | Intermediate Similarity | NPC475 |
0.7568 | Intermediate Similarity | NPC471769 |
0.7568 | Intermediate Similarity | NPC34046 |
0.7568 | Intermediate Similarity | NPC472502 |
0.7568 | Intermediate Similarity | NPC324700 |
0.7568 | Intermediate Similarity | NPC147993 |
0.7568 | Intermediate Similarity | NPC42853 |
0.7568 | Intermediate Similarity | NPC80089 |
0.7568 | Intermediate Similarity | NPC224802 |
0.7536 | Intermediate Similarity | NPC469987 |
0.7532 | Intermediate Similarity | NPC477818 |
0.7532 | Intermediate Similarity | NPC193870 |
0.7532 | Intermediate Similarity | NPC232023 |
0.7532 | Intermediate Similarity | NPC141941 |
0.7532 | Intermediate Similarity | NPC110778 |
0.7532 | Intermediate Similarity | NPC478054 |
0.75 | Intermediate Similarity | NPC47663 |
0.75 | Intermediate Similarity | NPC478130 |
0.7467 | Intermediate Similarity | NPC477282 |
0.7467 | Intermediate Similarity | NPC49627 |
0.7467 | Intermediate Similarity | NPC1319 |
0.7467 | Intermediate Similarity | NPC80297 |
0.7467 | Intermediate Similarity | NPC116119 |
0.7467 | Intermediate Similarity | NPC201276 |
0.7467 | Intermediate Similarity | NPC475727 |
0.7467 | Intermediate Similarity | NPC329871 |
0.7467 | Intermediate Similarity | NPC49599 |
0.7467 | Intermediate Similarity | NPC80891 |
0.7467 | Intermediate Similarity | NPC472742 |
0.7467 | Intermediate Similarity | NPC220379 |
0.7467 | Intermediate Similarity | NPC81074 |
0.7465 | Intermediate Similarity | NPC151018 |
0.7465 | Intermediate Similarity | NPC127283 |
0.7465 | Intermediate Similarity | NPC320549 |
0.7465 | Intermediate Similarity | NPC58057 |
0.7465 | Intermediate Similarity | NPC156277 |
0.7465 | Intermediate Similarity | NPC89310 |
0.7465 | Intermediate Similarity | NPC111234 |
0.7465 | Intermediate Similarity | NPC8004 |
0.7463 | Intermediate Similarity | NPC94897 |
0.7436 | Intermediate Similarity | NPC209802 |
0.7436 | Intermediate Similarity | NPC124172 |
0.7436 | Intermediate Similarity | NPC255882 |
0.7436 | Intermediate Similarity | NPC475798 |
0.7436 | Intermediate Similarity | NPC127606 |
0.7432 | Intermediate Similarity | NPC138502 |
0.7432 | Intermediate Similarity | NPC212453 |
0.7432 | Intermediate Similarity | NPC307336 |
0.7432 | Intermediate Similarity | NPC260301 |
0.7429 | Intermediate Similarity | NPC99264 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC209686 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 |
---|---|---|---|
0.8088 | Intermediate Similarity | NPD4787 | Phase 1 |
0.7941 | Intermediate Similarity | NPD4267 | Clinical (unspecified phase) |
0.7681 | Intermediate Similarity | NPD3698 | Phase 2 |
0.7639 | Intermediate Similarity | NPD3703 | Phase 2 |
0.7612 | Intermediate Similarity | NPD3171 | Clinical (unspecified phase) |
0.76 | Intermediate Similarity | NPD6928 | Phase 2 |
0.7571 | Intermediate Similarity | NPD4245 | Approved |
0.7571 | Intermediate Similarity | NPD4244 | Approved |
0.7568 | Intermediate Similarity | NPD6118 | Approved |
0.7568 | Intermediate Similarity | NPD6114 | Approved |
0.7568 | Intermediate Similarity | NPD6115 | Approved |
0.7568 | Intermediate Similarity | NPD6697 | Approved |
0.7465 | Intermediate Similarity | NPD4808 | Clinical (unspecified phase) |
0.7465 | Intermediate Similarity | NPD4809 | Clinical (unspecified phase) |
0.7429 | Intermediate Similarity | NPD3700 | Clinical (unspecified phase) |
0.7429 | Intermediate Similarity | NPD3699 | Clinical (unspecified phase) |
0.7297 | Intermediate Similarity | NPD6117 | Approved |
0.7297 | Intermediate Similarity | NPD3701 | Clinical (unspecified phase) |
0.726 | Intermediate Similarity | NPD6113 | Clinical (unspecified phase) |
0.72 | Intermediate Similarity | NPD6116 | Phase 1 |
0.7119 | Intermediate Similarity | NPD385 | Approved |
0.7119 | Intermediate Similarity | NPD384 | Approved |
0.7083 | Intermediate Similarity | NPD4789 | Approved |
0.7042 | Intermediate Similarity | NPD6705 | Phase 1 |
0.6951 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.6949 | Remote Similarity | NPD386 | Approved |
0.6949 | Remote Similarity | NPD388 | Approved |
0.6933 | Remote Similarity | NPD3702 | Approved |
0.6933 | Remote Similarity | NPD6942 | Approved |
0.6933 | Remote Similarity | NPD7339 | Approved |
0.6923 | Remote Similarity | NPD7525 | Registered |
0.6923 | Remote Similarity | NPD4748 | Discontinued |
0.6806 | Remote Similarity | NPD5360 | Phase 3 |
0.6806 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.6714 | Remote Similarity | NPD371 | Approved |
0.6667 | Remote Similarity | NPD3671 | Phase 1 |
0.6582 | Remote Similarity | NPD6929 | Approved |
0.6579 | Remote Similarity | NPD6924 | Approved |
0.6579 | Remote Similarity | NPD6926 | Approved |
0.6552 | Remote Similarity | NPD8171 | Discontinued |
0.6533 | Remote Similarity | NPD4758 | Discontinued |
0.6533 | Remote Similarity | NPD4243 | Approved |
0.6533 | Remote Similarity | NPD5777 | Approved |
0.6528 | Remote Similarity | NPD4224 | Phase 2 |
0.6512 | Remote Similarity | NPD6700 | Approved |
0.6512 | Remote Similarity | NPD6701 | Clinical (unspecified phase) |
0.6506 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.65 | Remote Similarity | NPD6930 | Phase 2 |
0.65 | Remote Similarity | NPD6931 | Approved |
0.6463 | Remote Similarity | NPD4788 | Approved |
0.6437 | Remote Similarity | NPD6702 | Approved |
0.6437 | Remote Similarity | NPD6703 | Approved |
0.641 | Remote Similarity | NPD6933 | Approved |
0.6386 | Remote Similarity | NPD3666 | Approved |
0.6386 | Remote Similarity | NPD4786 | Approved |
0.6386 | Remote Similarity | NPD3665 | Phase 1 |
0.6386 | Remote Similarity | NPD3133 | Approved |
0.6364 | Remote Similarity | NPD4785 | Approved |
0.6364 | Remote Similarity | NPD4202 | Approved |
0.6364 | Remote Similarity | NPD4784 | Approved |
0.6341 | Remote Similarity | NPD3667 | Approved |
0.6329 | Remote Similarity | NPD6925 | Approved |
0.6329 | Remote Similarity | NPD5776 | Phase 2 |
0.6329 | Remote Similarity | NPD6932 | Approved |
0.6316 | Remote Similarity | NPD6081 | Approved |
0.6316 | Remote Similarity | NPD7151 | Approved |
0.6316 | Remote Similarity | NPD7150 | Approved |
0.6316 | Remote Similarity | NPD7152 | Approved |
0.6282 | Remote Similarity | NPD4190 | Phase 3 |
0.6282 | Remote Similarity | NPD5275 | Approved |
0.6267 | Remote Similarity | NPD6922 | Approved |
0.6267 | Remote Similarity | NPD6923 | Approved |
0.6265 | Remote Similarity | NPD6695 | Phase 3 |
0.625 | Remote Similarity | NPD7145 | Approved |
0.6235 | Remote Similarity | NPD3618 | Phase 1 |
0.6222 | Remote Similarity | NPD7991 | Discontinued |
0.6207 | Remote Similarity | NPD5328 | Approved |
0.619 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6184 | Remote Similarity | NPD7144 | Approved |
0.6184 | Remote Similarity | NPD7143 | Approved |
0.6176 | Remote Similarity | NPD586 | Phase 1 |
0.6173 | Remote Similarity | NPD4195 | Approved |
0.6173 | Remote Similarity | NPD6683 | Phase 2 |
0.6173 | Remote Similarity | NPD7645 | Phase 2 |
0.6143 | Remote Similarity | NPD3198 | Approved |
0.6118 | Remote Similarity | NPD6893 | Approved |
0.6098 | Remote Similarity | NPD7514 | Phase 3 |
0.6087 | Remote Similarity | NPD4755 | Approved |
0.6067 | Remote Similarity | NPD6079 | Approved |
0.6049 | Remote Similarity | NPD5364 | Discontinued |
0.6047 | Remote Similarity | NPD8308 | Discontinued |
0.6024 | Remote Similarity | NPD6902 | Approved |
0.6023 | Remote Similarity | NPD4753 | Phase 2 |
0.6022 | Remote Similarity | NPD7638 | Approved |
0.5977 | Remote Similarity | NPD7750 | Discontinued |
0.5977 | Remote Similarity | NPD7524 | Approved |
0.5957 | Remote Similarity | NPD7640 | Approved |
0.5957 | Remote Similarity | NPD5285 | Approved |
0.5957 | Remote Similarity | NPD4700 | Approved |
0.5957 | Remote Similarity | NPD5286 | Approved |
0.5957 | Remote Similarity | NPD4696 | Approved |
0.5957 | Remote Similarity | NPD8418 | Phase 2 |
0.5957 | Remote Similarity | NPD7639 | Approved |
0.5952 | Remote Similarity | NPD4221 | Approved |
0.5952 | Remote Similarity | NPD4223 | Phase 3 |
0.5949 | Remote Similarity | NPD1811 | Approved |
0.5949 | Remote Similarity | NPD1810 | Approved |
0.5904 | Remote Similarity | NPD7509 | Discontinued |
0.5904 | Remote Similarity | NPD7332 | Phase 2 |
0.5895 | Remote Similarity | NPD5223 | Approved |
0.5889 | Remote Similarity | NPD8034 | Phase 2 |
0.5889 | Remote Similarity | NPD8035 | Phase 2 |
0.5876 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD4139 | Approved |
0.5833 | Remote Similarity | NPD7632 | Discontinued |
0.5833 | Remote Similarity | NPD5226 | Approved |
0.5833 | Remote Similarity | NPD6898 | Phase 1 |
0.5833 | Remote Similarity | NPD5225 | Approved |
0.5833 | Remote Similarity | NPD4692 | Approved |
0.5833 | Remote Similarity | NPD5224 | Approved |
0.5833 | Remote Similarity | NPD5211 | Phase 2 |
0.5833 | Remote Similarity | NPD4633 | Approved |
0.5814 | Remote Similarity | NPD4197 | Approved |
0.5806 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD5221 | Approved |
0.5806 | Remote Similarity | NPD5222 | Approved |
0.5806 | Remote Similarity | NPD4697 | Phase 3 |
0.5773 | Remote Similarity | NPD5174 | Approved |
0.5773 | Remote Similarity | NPD4754 | Approved |
0.5773 | Remote Similarity | NPD5175 | Approved |
0.5747 | Remote Similarity | NPD5329 | Approved |
0.5745 | Remote Similarity | NPD5173 | Approved |
0.5745 | Remote Similarity | NPD7920 | Phase 3 |
0.5745 | Remote Similarity | NPD7919 | Phase 3 |
0.5743 | Remote Similarity | NPD4634 | Approved |
0.5729 | Remote Similarity | NPD4159 | Approved |
0.5729 | Remote Similarity | NPD1700 | Approved |
0.5714 | Remote Similarity | NPD5141 | Approved |
0.5714 | Remote Similarity | NPD7087 | Discontinued |
0.5699 | Remote Similarity | NPD4629 | Approved |
0.5699 | Remote Similarity | NPD5210 | Approved |
0.5684 | Remote Similarity | NPD8088 | Phase 1 |
0.5682 | Remote Similarity | NPD4693 | Phase 3 |
0.5682 | Remote Similarity | NPD4690 | Approved |
0.5682 | Remote Similarity | NPD5279 | Phase 3 |
0.5682 | Remote Similarity | NPD4688 | Approved |
0.5682 | Remote Similarity | NPD5205 | Approved |
0.5682 | Remote Similarity | NPD4689 | Approved |
0.5682 | Remote Similarity | NPD4138 | Approved |
0.5663 | Remote Similarity | NPD3617 | Approved |
0.5663 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.5657 | Remote Similarity | NPD7128 | Approved |
0.5657 | Remote Similarity | NPD4767 | Approved |
0.5657 | Remote Similarity | NPD6675 | Approved |
0.5657 | Remote Similarity | NPD5739 | Approved |
0.5657 | Remote Similarity | NPD4768 | Approved |
0.5657 | Remote Similarity | NPD6402 | Approved |
0.5652 | Remote Similarity | NPD6399 | Phase 3 |
0.5632 | Remote Similarity | NPD3668 | Phase 3 |
0.56 | Remote Similarity | NPD5697 | Approved |
0.56 | Remote Similarity | NPD5701 | Approved |
PubChem CID   | 15599877 |
ChEMBL   | CHEMBL504604 |
ZINC   |
Molecular Weight:   | 238.19 |
ALogP:   | 0.2753 |
MLogP:   | 2.89 |
XLogP:   | 3.13 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 40.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 2 |
# Rings:   | 3 |
# Heavy Atoms:   | 17 |