Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | IC50 | = | 1300 | nM | 14738381 |
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | IC50 | = | 1000 | nM | 24571273 |
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | IC50 | = | 1000 | nM | 20329733 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | = | 4 | ug/ml | 19828313 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 1 | ug/ml | DrugMatrix in vivo data: Biochemistry |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 1 | ug/ml | DrugMatrix in vivo data: Hematology |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 4 | ug/ml | 15026054 |
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 NPC252564 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 |
---|---|---|
0.989 | High Similarity | NPC473537 |
0.9783 | High Similarity | NPC475249 |
0.9677 | High Similarity | NPC201712 |
0.9574 | High Similarity | NPC475518 |
0.8911 | High Similarity | NPC473994 |
0.7857 | Intermediate Similarity | NPC475340 |
0.7798 | Intermediate Similarity | NPC124358 |
0.7732 | Intermediate Similarity | NPC21035 |
0.7474 | Intermediate Similarity | NPC109533 |
0.7379 | Intermediate Similarity | NPC155985 |
0.7379 | Intermediate Similarity | NPC174117 |
0.7027 | Intermediate Similarity | NPC8009 |
0.7027 | Intermediate Similarity | NPC267217 |
0.7027 | Intermediate Similarity | NPC83047 |
0.7027 | Intermediate Similarity | NPC48127 |
0.6916 | Remote Similarity | NPC292819 |
0.6893 | Remote Similarity | NPC323156 |
0.6842 | Remote Similarity | NPC139778 |
0.6838 | Remote Similarity | NPC476955 |
0.6827 | Remote Similarity | NPC312637 |
0.6796 | Remote Similarity | NPC283751 |
0.6759 | Remote Similarity | NPC474164 |
0.6702 | Remote Similarity | NPC478103 |
0.6699 | Remote Similarity | NPC320478 |
0.6667 | Remote Similarity | NPC159390 |
0.6667 | Remote Similarity | NPC476903 |
0.6667 | Remote Similarity | NPC247891 |
0.6667 | Remote Similarity | NPC176012 |
0.6667 | Remote Similarity | NPC133995 |
0.6667 | Remote Similarity | NPC159367 |
0.6638 | Remote Similarity | NPC66862 |
0.6612 | Remote Similarity | NPC470593 |
0.6612 | Remote Similarity | NPC470594 |
0.6602 | Remote Similarity | NPC323958 |
0.66 | Remote Similarity | NPC192456 |
0.6579 | Remote Similarity | NPC476756 |
0.6579 | Remote Similarity | NPC244982 |
0.6571 | Remote Similarity | NPC135005 |
0.6562 | Remote Similarity | NPC478130 |
0.6552 | Remote Similarity | NPC72753 |
0.6549 | Remote Similarity | NPC470596 |
0.6514 | Remote Similarity | NPC289140 |
0.6495 | Remote Similarity | NPC477002 |
0.6486 | Remote Similarity | NPC135799 |
0.6476 | Remote Similarity | NPC317363 |
0.6441 | Remote Similarity | NPC476498 |
0.6435 | Remote Similarity | NPC46981 |
0.6429 | Remote Similarity | NPC473916 |
0.6429 | Remote Similarity | NPC477602 |
0.6429 | Remote Similarity | NPC25110 |
0.6429 | Remote Similarity | NPC477601 |
0.6413 | Remote Similarity | NPC469970 |
0.6408 | Remote Similarity | NPC175419 |
0.6396 | Remote Similarity | NPC220111 |
0.6379 | Remote Similarity | NPC470595 |
0.6374 | Remote Similarity | NPC114891 |
0.6372 | Remote Similarity | NPC470592 |
0.6356 | Remote Similarity | NPC474459 |
0.6344 | Remote Similarity | NPC142712 |
0.6341 | Remote Similarity | NPC99905 |
0.6341 | Remote Similarity | NPC96080 |
0.6341 | Remote Similarity | NPC208118 |
0.6333 | Remote Similarity | NPC476499 |
0.6325 | Remote Similarity | NPC147835 |
0.6325 | Remote Similarity | NPC253645 |
0.6325 | Remote Similarity | NPC95920 |
0.6325 | Remote Similarity | NPC85001 |
0.6316 | Remote Similarity | NPC241879 |
0.6316 | Remote Similarity | NPC66407 |
0.6316 | Remote Similarity | NPC124384 |
0.6316 | Remote Similarity | NPC107919 |
0.6311 | Remote Similarity | NPC475887 |
0.6311 | Remote Similarity | NPC323180 |
0.6304 | Remote Similarity | NPC53276 |
0.6303 | Remote Similarity | NPC474452 |
0.6293 | Remote Similarity | NPC317534 |
0.6286 | Remote Similarity | NPC171698 |
0.6286 | Remote Similarity | NPC321340 |
0.6286 | Remote Similarity | NPC270957 |
0.6286 | Remote Similarity | NPC119633 |
0.6283 | Remote Similarity | NPC118275 |
0.6281 | Remote Similarity | NPC476502 |
0.6277 | Remote Similarity | NPC473230 |
0.6277 | Remote Similarity | NPC48079 |
0.6277 | Remote Similarity | NPC475884 |
0.6271 | Remote Similarity | NPC287764 |
0.6271 | Remote Similarity | NPC472313 |
0.6264 | Remote Similarity | NPC218585 |
0.6264 | Remote Similarity | NPC148174 |
0.6264 | Remote Similarity | NPC71460 |
0.625 | Remote Similarity | NPC232925 |
0.625 | Remote Similarity | NPC63588 |
0.625 | Remote Similarity | NPC251201 |
0.625 | Remote Similarity | NPC192192 |
0.6237 | Remote Similarity | NPC477603 |
0.6237 | Remote Similarity | NPC41577 |
0.6237 | Remote Similarity | NPC473276 |
0.6237 | Remote Similarity | NPC474380 |
0.6218 | Remote Similarity | NPC79238 |
0.6211 | Remote Similarity | NPC472741 |
0.6211 | Remote Similarity | NPC271640 |
0.6207 | Remote Similarity | NPC55462 |
0.6207 | Remote Similarity | NPC477292 |
0.6204 | Remote Similarity | NPC84171 |
0.6186 | Remote Similarity | NPC252182 |
0.6186 | Remote Similarity | NPC470071 |
0.6186 | Remote Similarity | NPC109457 |
0.6186 | Remote Similarity | NPC100586 |
0.6186 | Remote Similarity | NPC187471 |
0.6186 | Remote Similarity | NPC157422 |
0.6186 | Remote Similarity | NPC1340 |
0.6186 | Remote Similarity | NPC127094 |
0.617 | Remote Similarity | NPC44122 |
0.6154 | Remote Similarity | NPC246956 |
0.6154 | Remote Similarity | NPC478053 |
0.6148 | Remote Similarity | NPC165396 |
0.6146 | Remote Similarity | NPC254037 |
0.6146 | Remote Similarity | NPC299948 |
0.6146 | Remote Similarity | NPC470830 |
0.6146 | Remote Similarity | NPC241085 |
0.6146 | Remote Similarity | NPC477820 |
0.6146 | Remote Similarity | NPC129829 |
0.6146 | Remote Similarity | NPC245223 |
0.6139 | Remote Similarity | NPC329117 |
0.6134 | Remote Similarity | NPC472359 |
0.6129 | Remote Similarity | NPC167995 |
0.6129 | Remote Similarity | NPC281540 |
0.6129 | Remote Similarity | NPC159654 |
0.6129 | Remote Similarity | NPC118937 |
0.6129 | Remote Similarity | NPC69149 |
0.6122 | Remote Similarity | NPC153719 |
0.6122 | Remote Similarity | NPC470610 |
0.6122 | Remote Similarity | NPC473238 |
0.6122 | Remote Similarity | NPC472341 |
0.6105 | Remote Similarity | NPC475172 |
0.6098 | Remote Similarity | NPC39485 |
0.6098 | Remote Similarity | NPC221196 |
0.6094 | Remote Similarity | NPC237286 |
0.6087 | Remote Similarity | NPC476755 |
0.6087 | Remote Similarity | NPC471083 |
0.6082 | Remote Similarity | NPC231945 |
0.6082 | Remote Similarity | NPC282454 |
0.6068 | Remote Similarity | NPC36497 |
0.6061 | Remote Similarity | NPC262050 |
0.6061 | Remote Similarity | NPC304499 |
0.6061 | Remote Similarity | NPC48795 |
0.6058 | Remote Similarity | NPC477599 |
0.6034 | Remote Similarity | NPC474583 |
0.602 | Remote Similarity | NPC195530 |
0.602 | Remote Similarity | NPC473552 |
0.602 | Remote Similarity | NPC157777 |
0.602 | Remote Similarity | NPC323900 |
0.602 | Remote Similarity | NPC477822 |
0.602 | Remote Similarity | NPC477821 |
0.602 | Remote Similarity | NPC324984 |
0.602 | Remote Similarity | NPC473279 |
0.602 | Remote Similarity | NPC131506 |
0.602 | Remote Similarity | NPC477823 |
0.6018 | Remote Similarity | NPC140300 |
0.6017 | Remote Similarity | NPC25340 |
0.6016 | Remote Similarity | NPC304646 |
0.6016 | Remote Similarity | NPC28280 |
0.6 | Remote Similarity | NPC158208 |
0.6 | Remote Similarity | NPC243027 |
0.6 | Remote Similarity | NPC196136 |
0.6 | Remote Similarity | NPC476497 |
0.6 | Remote Similarity | NPC478054 |
0.6 | Remote Similarity | NPC317242 |
0.5984 | Remote Similarity | NPC28224 |
0.5983 | Remote Similarity | NPC475239 |
0.5983 | Remote Similarity | NPC212874 |
0.5979 | Remote Similarity | NPC99264 |
0.5965 | Remote Similarity | NPC91604 |
0.596 | Remote Similarity | NPC232112 |
0.5954 | Remote Similarity | NPC476967 |
0.5948 | Remote Similarity | NPC50815 |
0.5943 | Remote Similarity | NPC320824 |
0.5941 | Remote Similarity | NPC163597 |
0.5941 | Remote Similarity | NPC4209 |
0.5938 | Remote Similarity | NPC63190 |
0.5934 | Remote Similarity | NPC476735 |
0.5923 | Remote Similarity | NPC476501 |
0.5922 | Remote Similarity | NPC220379 |
0.5918 | Remote Similarity | NPC473442 |
0.5918 | Remote Similarity | NPC120167 |
0.5906 | Remote Similarity | NPC476504 |
0.5902 | Remote Similarity | NPC56796 |
0.59 | Remote Similarity | NPC477508 |
0.59 | Remote Similarity | NPC10476 |
0.59 | Remote Similarity | NPC192501 |
0.59 | Remote Similarity | NPC228994 |
0.5897 | Remote Similarity | NPC473254 |
0.5897 | Remote Similarity | NPC98765 |
0.5891 | Remote Similarity | NPC296686 |
0.5888 | Remote Similarity | NPC75810 |
0.5882 | Remote Similarity | NPC192046 |
0.5882 | Remote Similarity | NPC185915 |
0.5882 | Remote Similarity | NPC302578 |
0.5882 | Remote Similarity | NPC133596 |
0.5882 | Remote Similarity | NPC64081 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC252564 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 |
---|---|---|---|
1.0 | High Similarity | NPD8088 | Phase 1 |
0.989 | High Similarity | NPD7920 | Phase 3 |
0.989 | High Similarity | NPD7919 | Phase 3 |
0.7629 | Intermediate Similarity | NPD8308 | Discontinued |
0.6944 | Remote Similarity | NPD8418 | Phase 2 |
0.6726 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD6700 | Approved |
0.6667 | Remote Similarity | NPD6701 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8298 | Phase 2 |
0.6604 | Remote Similarity | NPD6703 | Approved |
0.6604 | Remote Similarity | NPD6702 | Approved |
0.6491 | Remote Similarity | NPD6920 | Discontinued |
0.646 | Remote Similarity | NPD7912 | Approved |
0.646 | Remote Similarity | NPD7911 | Approved |
0.646 | Remote Similarity | NPD7987 | Approved |
0.646 | Remote Similarity | NPD7986 | Approved |
0.6435 | Remote Similarity | NPD7990 | Approved |
0.6435 | Remote Similarity | NPD7989 | Approved |
0.6417 | Remote Similarity | NPD7755 | Approved |
0.6417 | Remote Similarity | NPD7754 | Approved |
0.6348 | Remote Similarity | NPD8040 | Discontinued |
0.6316 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.6239 | Remote Similarity | NPD6415 | Discontinued |
0.6167 | Remote Similarity | NPD7335 | Phase 2 |
0.6167 | Remote Similarity | NPD7336 | Phase 2 |
0.6167 | Remote Similarity | NPD7337 | Clinical (unspecified phase) |
0.6126 | Remote Similarity | NPD7991 | Discontinued |
0.6102 | Remote Similarity | NPD8174 | Phase 2 |
0.6033 | Remote Similarity | NPD8077 | Approved |
0.6033 | Remote Similarity | NPD8078 | Approved |
0.5941 | Remote Similarity | NPD6117 | Approved |
0.5918 | Remote Similarity | NPD4787 | Phase 1 |
0.5893 | Remote Similarity | NPD2636 | Clinical (unspecified phase) |
0.5893 | Remote Similarity | NPD2637 | Approved |
0.5882 | Remote Similarity | NPD6116 | Phase 1 |
0.5859 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.5859 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.5825 | Remote Similarity | NPD6115 | Approved |
0.5825 | Remote Similarity | NPD6697 | Approved |
0.5825 | Remote Similarity | NPD6114 | Approved |
0.5825 | Remote Similarity | NPD6118 | Approved |
0.5743 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.5741 | Remote Similarity | NPD394 | Phase 3 |
0.5714 | Remote Similarity | NPD6705 | Phase 1 |
0.5714 | Remote Similarity | NPD7525 | Registered |
0.5657 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5657 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5635 | Remote Similarity | NPD6940 | Discontinued |
0.5615 | Remote Similarity | NPD7652 | Discontinued |
PubChem CID   | 9917968 |
ChEMBL   | CHEMBL508583 |
ZINC   |
Molecular Weight:   | 684.52 |
ALogP:   | -2.5961 |
MLogP:   | 4.43 |
XLogP:   | 6.312 |
# Rotatable Bonds:   | 28 |
Polar Surface Area:   | 154.32 |
# H-Bond Aceptor:   | 9 |
# H-Bond Donor:   | 6 |
# Rings:   | 4 |
# Heavy Atoms:   | 47 |