Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT574 | Cell Line | XF498 | Homo sapiens | ED50 | = | 18.5 | ug/ml | 16724838 |
NPT6068 | Organism | Simian virus 40 | Simian virus 40 | Inhibition | = | 100 | % | 24495105 |
NPT148 | Cell Line | HCT-15 | Homo sapiens | ED50 | = | 12.9 | ug/ml | 19113894 |
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | > | 30 | ug/ml | PubChem BioAssay data set |
NPT6068 | Organism | Simian virus 40 | Simian virus 40 | Inhibition | = | 63 | % | 18595720 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | ED50 | = | 4.2 | ug/ml | 23398362 |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | = | 3.9 | ug/ml | 10.6019/CHEMBL1201861 |
NPT6068 | Organism | Simian virus 40 | Simian virus 40 | Inhibition | = | 77 | % | 10.6019/CHEMBL1201861 |
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 NPC473532 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 |
---|---|---|
0.9804 | High Similarity | NPC473721 |
0.9804 | High Similarity | NPC473910 |
0.9804 | High Similarity | NPC473735 |
0.9804 | High Similarity | NPC475353 |
0.9804 | High Similarity | NPC473896 |
0.9804 | High Similarity | NPC473725 |
0.9615 | High Similarity | NPC475384 |
0.9615 | High Similarity | NPC470967 |
0.9615 | High Similarity | NPC161838 |
0.9615 | High Similarity | NPC470969 |
0.9615 | High Similarity | NPC471960 |
0.9615 | High Similarity | NPC470966 |
0.9615 | High Similarity | NPC477661 |
0.9615 | High Similarity | NPC470968 |
0.9615 | High Similarity | NPC473847 |
0.9434 | High Similarity | NPC470970 |
0.9423 | High Similarity | NPC477726 |
0.9423 | High Similarity | NPC477725 |
0.94 | High Similarity | NPC475477 |
0.94 | High Similarity | NPC471959 |
0.94 | High Similarity | NPC76198 |
0.94 | High Similarity | NPC170776 |
0.94 | High Similarity | NPC294278 |
0.94 | High Similarity | NPC9273 |
0.94 | High Similarity | NPC165447 |
0.94 | High Similarity | NPC197272 |
0.94 | High Similarity | NPC224148 |
0.94 | High Similarity | NPC477723 |
0.94 | High Similarity | NPC256656 |
0.94 | High Similarity | NPC89824 |
0.94 | High Similarity | NPC329608 |
0.92 | High Similarity | NPC471281 |
0.92 | High Similarity | NPC199286 |
0.92 | High Similarity | NPC477727 |
0.9038 | High Similarity | NPC26102 |
0.9038 | High Similarity | NPC187361 |
0.9038 | High Similarity | NPC477724 |
0.902 | High Similarity | NPC55383 |
0.902 | High Similarity | NPC151782 |
0.9 | High Similarity | NPC125122 |
0.9 | High Similarity | NPC471275 |
0.9 | High Similarity | NPC471276 |
0.9 | High Similarity | NPC471280 |
0.8868 | High Similarity | NPC49059 |
0.8868 | High Similarity | NPC256209 |
0.8868 | High Similarity | NPC48058 |
0.8824 | High Similarity | NPC473913 |
0.8824 | High Similarity | NPC474642 |
0.8824 | High Similarity | NPC72699 |
0.8824 | High Similarity | NPC249670 |
0.8654 | High Similarity | NPC129263 |
0.8627 | High Similarity | NPC153538 |
0.8627 | High Similarity | NPC31194 |
0.8627 | High Similarity | NPC248884 |
0.8627 | High Similarity | NPC85079 |
0.8621 | High Similarity | NPC470965 |
0.86 | High Similarity | NPC35141 |
0.86 | High Similarity | NPC124183 |
0.8545 | High Similarity | NPC311648 |
0.8545 | High Similarity | NPC470964 |
0.8519 | High Similarity | NPC110732 |
0.8448 | Intermediate Similarity | NPC475984 |
0.8393 | Intermediate Similarity | NPC48968 |
0.8393 | Intermediate Similarity | NPC594 |
0.8364 | Intermediate Similarity | NPC474513 |
0.8364 | Intermediate Similarity | NPC146551 |
0.8364 | Intermediate Similarity | NPC152668 |
0.8364 | Intermediate Similarity | NPC470963 |
0.8333 | Intermediate Similarity | NPC34577 |
0.8302 | Intermediate Similarity | NPC474495 |
0.8302 | Intermediate Similarity | NPC93639 |
0.8302 | Intermediate Similarity | NPC71053 |
0.8302 | Intermediate Similarity | NPC59408 |
0.8302 | Intermediate Similarity | NPC473672 |
0.8235 | Intermediate Similarity | NPC55063 |
0.8235 | Intermediate Similarity | NPC19834 |
0.82 | Intermediate Similarity | NPC101616 |
0.8113 | Intermediate Similarity | NPC328784 |
0.8113 | Intermediate Similarity | NPC291437 |
0.8103 | Intermediate Similarity | NPC473652 |
0.8039 | Intermediate Similarity | NPC269074 |
0.8036 | Intermediate Similarity | NPC471239 |
0.8036 | Intermediate Similarity | NPC474644 |
0.7925 | Intermediate Similarity | NPC302310 |
0.7895 | Intermediate Similarity | NPC473865 |
0.7895 | Intermediate Similarity | NPC474643 |
0.7885 | Intermediate Similarity | NPC157096 |
0.7843 | Intermediate Similarity | NPC108195 |
0.7833 | Intermediate Similarity | NPC168407 |
0.7818 | Intermediate Similarity | NPC142092 |
0.78 | Intermediate Similarity | NPC149668 |
0.7778 | Intermediate Similarity | NPC473752 |
0.7759 | Intermediate Similarity | NPC193975 |
0.7705 | Intermediate Similarity | NPC29697 |
0.7679 | Intermediate Similarity | NPC474496 |
0.7667 | Intermediate Similarity | NPC471278 |
0.7547 | Intermediate Similarity | NPC180575 |
0.7541 | Intermediate Similarity | NPC66460 |
0.7541 | Intermediate Similarity | NPC325929 |
0.7541 | Intermediate Similarity | NPC271282 |
0.7451 | Intermediate Similarity | NPC304151 |
0.74 | Intermediate Similarity | NPC329762 |
0.74 | Intermediate Similarity | NPC103236 |
0.74 | Intermediate Similarity | NPC27444 |
0.7358 | Intermediate Similarity | NPC140501 |
0.7358 | Intermediate Similarity | NPC276825 |
0.7358 | Intermediate Similarity | NPC76976 |
0.7302 | Intermediate Similarity | NPC470320 |
0.7302 | Intermediate Similarity | NPC226592 |
0.7258 | Intermediate Similarity | NPC477829 |
0.7213 | Intermediate Similarity | NPC122239 |
0.7167 | Intermediate Similarity | NPC472445 |
0.7167 | Intermediate Similarity | NPC212730 |
0.7167 | Intermediate Similarity | NPC44542 |
0.7167 | Intermediate Similarity | NPC265551 |
0.7143 | Intermediate Similarity | NPC474460 |
0.7143 | Intermediate Similarity | NPC473768 |
0.7119 | Intermediate Similarity | NPC317899 |
0.7115 | Intermediate Similarity | NPC46248 |
0.7115 | Intermediate Similarity | NPC249801 |
0.7097 | Intermediate Similarity | NPC327112 |
0.7069 | Intermediate Similarity | NPC284224 |
0.7069 | Intermediate Similarity | NPC217188 |
0.7069 | Intermediate Similarity | NPC61177 |
0.7049 | Intermediate Similarity | NPC181872 |
0.7049 | Intermediate Similarity | NPC226848 |
0.6981 | Remote Similarity | NPC116934 |
0.6981 | Remote Similarity | NPC252978 |
0.6964 | Remote Similarity | NPC475153 |
0.6935 | Remote Similarity | NPC475931 |
0.6935 | Remote Similarity | NPC222852 |
0.6923 | Remote Similarity | NPC255863 |
0.6923 | Remote Similarity | NPC308844 |
0.6923 | Remote Similarity | NPC245947 |
0.6923 | Remote Similarity | NPC136164 |
0.6897 | Remote Similarity | NPC35756 |
0.6897 | Remote Similarity | NPC473705 |
0.6885 | Remote Similarity | NPC474577 |
0.6885 | Remote Similarity | NPC471277 |
0.6885 | Remote Similarity | NPC471279 |
0.6875 | Remote Similarity | NPC55068 |
0.6863 | Remote Similarity | NPC15934 |
0.6863 | Remote Similarity | NPC306850 |
0.6833 | Remote Similarity | NPC227135 |
0.6833 | Remote Similarity | NPC329686 |
0.68 | Remote Similarity | NPC216416 |
0.6792 | Remote Similarity | NPC213538 |
0.6792 | Remote Similarity | NPC256766 |
0.6792 | Remote Similarity | NPC206906 |
0.6786 | Remote Similarity | NPC471958 |
0.6765 | Remote Similarity | NPC291196 |
0.6765 | Remote Similarity | NPC103712 |
0.6727 | Remote Similarity | NPC160628 |
0.6724 | Remote Similarity | NPC200772 |
0.6724 | Remote Similarity | NPC29234 |
0.6721 | Remote Similarity | NPC324224 |
0.6721 | Remote Similarity | NPC472808 |
0.6716 | Remote Similarity | NPC26500 |
0.6716 | Remote Similarity | NPC99619 |
0.6667 | Remote Similarity | NPC322002 |
0.6667 | Remote Similarity | NPC474267 |
0.6667 | Remote Similarity | NPC40434 |
0.6667 | Remote Similarity | NPC34873 |
0.6604 | Remote Similarity | NPC269823 |
0.66 | Remote Similarity | NPC213767 |
0.6562 | Remote Similarity | NPC328311 |
0.6562 | Remote Similarity | NPC471081 |
0.6562 | Remote Similarity | NPC243532 |
0.6557 | Remote Similarity | NPC281590 |
0.6557 | Remote Similarity | NPC232247 |
0.6557 | Remote Similarity | NPC251666 |
0.6552 | Remote Similarity | NPC182102 |
0.6552 | Remote Similarity | NPC475071 |
0.6552 | Remote Similarity | NPC288381 |
0.6552 | Remote Similarity | NPC20934 |
0.6552 | Remote Similarity | NPC26960 |
0.6552 | Remote Similarity | NPC473487 |
0.6545 | Remote Similarity | NPC138935 |
0.6538 | Remote Similarity | NPC471282 |
0.6522 | Remote Similarity | NPC470436 |
0.6515 | Remote Similarity | NPC300593 |
0.6508 | Remote Similarity | NPC155025 |
0.6508 | Remote Similarity | NPC469373 |
0.6471 | Remote Similarity | NPC73603 |
0.6471 | Remote Similarity | NPC259299 |
0.6462 | Remote Similarity | NPC321838 |
0.6462 | Remote Similarity | NPC201939 |
0.6462 | Remote Similarity | NPC113293 |
0.6462 | Remote Similarity | NPC26810 |
0.6452 | Remote Similarity | NPC48891 |
0.6418 | Remote Similarity | NPC326268 |
0.6418 | Remote Similarity | NPC317881 |
0.6418 | Remote Similarity | NPC323045 |
0.6418 | Remote Similarity | NPC19569 |
0.6418 | Remote Similarity | NPC318420 |
0.6406 | Remote Similarity | NPC329249 |
0.6406 | Remote Similarity | NPC318306 |
0.6406 | Remote Similarity | NPC322186 |
0.6406 | Remote Similarity | NPC473866 |
0.6393 | Remote Similarity | NPC300121 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC473532 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 |
---|---|---|---|
0.7358 | Intermediate Similarity | NPD4265 | Approved |
0.7097 | Intermediate Similarity | NPD4246 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.6301 | Remote Similarity | NPD8264 | Approved |
0.6269 | Remote Similarity | NPD3197 | Phase 1 |
0.6232 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6212 | Remote Similarity | NPD368 | Approved |
0.6197 | Remote Similarity | NPD3212 | Clinical (unspecified phase) |
0.6076 | Remote Similarity | NPD5331 | Approved |
0.6076 | Remote Similarity | NPD5332 | Approved |
0.6032 | Remote Similarity | NPD342 | Phase 1 |
0.6 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD4219 | Approved |
0.5873 | Remote Similarity | NPD4266 | Approved |
0.5873 | Remote Similarity | NPD3195 | Phase 2 |
0.5873 | Remote Similarity | NPD3196 | Approved |
0.5873 | Remote Similarity | NPD3194 | Approved |
0.5862 | Remote Similarity | NPD39 | Approved |
0.5844 | Remote Similarity | NPD4268 | Approved |
0.5844 | Remote Similarity | NPD4271 | Approved |
0.5844 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.5844 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5823 | Remote Similarity | NPD6898 | Phase 1 |
0.5811 | Remote Similarity | NPD4732 | Discontinued |
0.5758 | Remote Similarity | NPD6109 | Phase 1 |
0.5714 | Remote Similarity | NPD3172 | Approved |
0.5696 | Remote Similarity | NPD4819 | Approved |
0.5696 | Remote Similarity | NPD7332 | Phase 2 |
0.5696 | Remote Similarity | NPD4821 | Approved |
0.5696 | Remote Similarity | NPD4822 | Approved |
0.5696 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5696 | Remote Similarity | NPD4252 | Approved |
0.5696 | Remote Similarity | NPD4820 | Approved |
0.5696 | Remote Similarity | NPD7514 | Phase 3 |
0.5641 | Remote Similarity | NPD7145 | Approved |
0.5625 | Remote Similarity | NPD4790 | Discontinued |
0.5625 | Remote Similarity | NPD6902 | Approved |
PubChem CID   | 10818208 |
ChEMBL   | CHEMBL444755 |
ZINC   |
Molecular Weight:   | 670.53 |
ALogP:   | -1.1143 |
MLogP:   | 6.19 |
XLogP:   | 16.317 |
# Rotatable Bonds:   | 34 |
Polar Surface Area:   | 60.69 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 3 |
# Rings:   | 0 |
# Heavy Atoms:   | 49 |