Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT6068 | Organism | Simian virus 40 | Simian virus 40 | Inhibition | = | 89 | % | 16441066 |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | = | 2.4 | ug/ml | 18280170 |
NPT574 | Cell Line | XF498 | Homo sapiens | ED50 | > | 10 | ug/ml | 8496706 |
NPT6068 | Organism | Simian virus 40 | Simian virus 40 | Inhibition | = | 100 | % | 17498960 |
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | > | 10 | ug/ml | 19916529 |
NPT148 | Cell Line | HCT-15 | Homo sapiens | ED50 | = | 7.5 | ug/ml | 11520227 |
NPT6068 | Organism | Simian virus 40 | Simian virus 40 | Inhibition | = | 100 | % | 16792409 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | ED50 | = | 0.7 | ug/ml | 20591538 |
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 NPC473752 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 |
---|---|---|
0.8095 | Intermediate Similarity | NPC470966 |
0.8095 | Intermediate Similarity | NPC470969 |
0.8095 | Intermediate Similarity | NPC470967 |
0.8095 | Intermediate Similarity | NPC475384 |
0.8095 | Intermediate Similarity | NPC477661 |
0.8095 | Intermediate Similarity | NPC473847 |
0.8095 | Intermediate Similarity | NPC161838 |
0.8095 | Intermediate Similarity | NPC470968 |
0.8095 | Intermediate Similarity | NPC471960 |
0.8065 | Intermediate Similarity | NPC48058 |
0.7969 | Intermediate Similarity | NPC470970 |
0.7937 | Intermediate Similarity | NPC473896 |
0.7937 | Intermediate Similarity | NPC475353 |
0.7937 | Intermediate Similarity | NPC473735 |
0.7937 | Intermediate Similarity | NPC473910 |
0.7937 | Intermediate Similarity | NPC471239 |
0.7937 | Intermediate Similarity | NPC473725 |
0.7937 | Intermediate Similarity | NPC477726 |
0.7937 | Intermediate Similarity | NPC473721 |
0.7937 | Intermediate Similarity | NPC477725 |
0.791 | Intermediate Similarity | NPC470965 |
0.7794 | Intermediate Similarity | NPC477456 |
0.7794 | Intermediate Similarity | NPC477457 |
0.7778 | Intermediate Similarity | NPC473532 |
0.7761 | Intermediate Similarity | NPC66460 |
0.7761 | Intermediate Similarity | NPC271282 |
0.7761 | Intermediate Similarity | NPC325929 |
0.7761 | Intermediate Similarity | NPC168407 |
0.7761 | Intermediate Similarity | NPC475984 |
0.7647 | Intermediate Similarity | NPC29697 |
0.7619 | Intermediate Similarity | NPC26102 |
0.7619 | Intermediate Similarity | NPC187361 |
0.7619 | Intermediate Similarity | NPC477724 |
0.7581 | Intermediate Similarity | NPC170776 |
0.7581 | Intermediate Similarity | NPC475477 |
0.7581 | Intermediate Similarity | NPC471959 |
0.7581 | Intermediate Similarity | NPC329608 |
0.7581 | Intermediate Similarity | NPC76198 |
0.7581 | Intermediate Similarity | NPC9273 |
0.7581 | Intermediate Similarity | NPC89824 |
0.7581 | Intermediate Similarity | NPC165447 |
0.7581 | Intermediate Similarity | NPC224148 |
0.7581 | Intermediate Similarity | NPC294278 |
0.7581 | Intermediate Similarity | NPC256656 |
0.7581 | Intermediate Similarity | NPC477723 |
0.7581 | Intermediate Similarity | NPC197272 |
0.7538 | Intermediate Similarity | NPC311648 |
0.7538 | Intermediate Similarity | NPC470964 |
0.75 | Intermediate Similarity | NPC256209 |
0.75 | Intermediate Similarity | NPC49059 |
0.7463 | Intermediate Similarity | NPC473652 |
0.7424 | Intermediate Similarity | NPC594 |
0.7424 | Intermediate Similarity | NPC48968 |
0.7424 | Intermediate Similarity | NPC193975 |
0.7419 | Intermediate Similarity | NPC471281 |
0.7419 | Intermediate Similarity | NPC477727 |
0.7419 | Intermediate Similarity | NPC199286 |
0.7385 | Intermediate Similarity | NPC152668 |
0.7385 | Intermediate Similarity | NPC470963 |
0.7385 | Intermediate Similarity | NPC474513 |
0.7385 | Intermediate Similarity | NPC146551 |
0.7353 | Intermediate Similarity | NPC471278 |
0.7302 | Intermediate Similarity | NPC55383 |
0.7302 | Intermediate Similarity | NPC129263 |
0.7258 | Intermediate Similarity | NPC471275 |
0.7258 | Intermediate Similarity | NPC471276 |
0.7258 | Intermediate Similarity | NPC125122 |
0.7258 | Intermediate Similarity | NPC471280 |
0.7162 | Intermediate Similarity | NPC477455 |
0.7143 | Intermediate Similarity | NPC473913 |
0.7143 | Intermediate Similarity | NPC249670 |
0.7143 | Intermediate Similarity | NPC474642 |
0.7077 | Intermediate Similarity | NPC34577 |
0.7059 | Intermediate Similarity | NPC469373 |
0.7031 | Intermediate Similarity | NPC151782 |
0.7013 | Intermediate Similarity | NPC285840 |
0.7013 | Intermediate Similarity | NPC327041 |
0.6984 | Remote Similarity | NPC85079 |
0.6984 | Remote Similarity | NPC31194 |
0.6984 | Remote Similarity | NPC248884 |
0.6974 | Remote Similarity | NPC327383 |
0.6974 | Remote Similarity | NPC185186 |
0.697 | Remote Similarity | NPC110732 |
0.6957 | Remote Similarity | NPC474267 |
0.6935 | Remote Similarity | NPC35141 |
0.6935 | Remote Similarity | NPC124183 |
0.6923 | Remote Similarity | NPC142092 |
0.6912 | Remote Similarity | NPC212730 |
0.6912 | Remote Similarity | NPC44542 |
0.6912 | Remote Similarity | NPC265551 |
0.6875 | Remote Similarity | NPC470149 |
0.6875 | Remote Similarity | NPC72699 |
0.6875 | Remote Similarity | NPC470148 |
0.6866 | Remote Similarity | NPC317899 |
0.6825 | Remote Similarity | NPC471958 |
0.6806 | Remote Similarity | NPC226592 |
0.6806 | Remote Similarity | NPC470320 |
0.679 | Remote Similarity | NPC470147 |
0.679 | Remote Similarity | NPC162741 |
0.679 | Remote Similarity | NPC133226 |
0.679 | Remote Similarity | NPC91332 |
0.6761 | Remote Similarity | NPC477829 |
0.6753 | Remote Similarity | NPC329890 |
0.675 | Remote Similarity | NPC248775 |
0.6719 | Remote Similarity | NPC153538 |
0.6714 | Remote Similarity | NPC22897 |
0.6714 | Remote Similarity | NPC159650 |
0.6667 | Remote Similarity | NPC472445 |
0.6667 | Remote Similarity | NPC471279 |
0.6667 | Remote Similarity | NPC471277 |
0.6667 | Remote Similarity | NPC55063 |
0.6667 | Remote Similarity | NPC19834 |
0.6667 | Remote Similarity | NPC180725 |
0.6625 | Remote Similarity | NPC315394 |
0.6622 | Remote Similarity | NPC83965 |
0.662 | Remote Similarity | NPC299730 |
0.6618 | Remote Similarity | NPC474644 |
0.6613 | Remote Similarity | NPC101616 |
0.6588 | Remote Similarity | NPC242233 |
0.6582 | Remote Similarity | NPC260396 |
0.6579 | Remote Similarity | NPC143396 |
0.6579 | Remote Similarity | NPC470436 |
0.6567 | Remote Similarity | NPC474496 |
0.6567 | Remote Similarity | NPC61177 |
0.6552 | Remote Similarity | NPC60765 |
0.6538 | Remote Similarity | NPC329914 |
0.6528 | Remote Similarity | NPC26810 |
0.6522 | Remote Similarity | NPC474643 |
0.6522 | Remote Similarity | NPC473865 |
0.6515 | Remote Similarity | NPC93639 |
0.6515 | Remote Similarity | NPC71053 |
0.6515 | Remote Similarity | NPC59408 |
0.6515 | Remote Similarity | NPC474495 |
0.6515 | Remote Similarity | NPC473672 |
0.6508 | Remote Similarity | NPC269074 |
0.6508 | Remote Similarity | NPC474202 |
0.6508 | Remote Similarity | NPC474362 |
0.65 | Remote Similarity | NPC188860 |
0.6494 | Remote Similarity | NPC476037 |
0.6486 | Remote Similarity | NPC96414 |
0.6486 | Remote Similarity | NPC255863 |
0.6486 | Remote Similarity | NPC136164 |
0.6486 | Remote Similarity | NPC7940 |
0.6486 | Remote Similarity | NPC245947 |
0.6479 | Remote Similarity | NPC222852 |
0.6463 | Remote Similarity | NPC139712 |
0.6456 | Remote Similarity | NPC227396 |
0.6456 | Remote Similarity | NPC227814 |
0.6456 | Remote Similarity | NPC144995 |
0.6447 | Remote Similarity | NPC238223 |
0.6447 | Remote Similarity | NPC475760 |
0.6429 | Remote Similarity | NPC474577 |
0.6429 | Remote Similarity | NPC268185 |
0.642 | Remote Similarity | NPC474026 |
0.642 | Remote Similarity | NPC233071 |
0.642 | Remote Similarity | NPC473536 |
0.641 | Remote Similarity | NPC186531 |
0.64 | Remote Similarity | NPC146811 |
0.64 | Remote Similarity | NPC201356 |
0.6389 | Remote Similarity | NPC229252 |
0.6389 | Remote Similarity | NPC143857 |
0.6389 | Remote Similarity | NPC327112 |
0.6364 | Remote Similarity | NPC151481 |
0.6364 | Remote Similarity | NPC328784 |
0.6364 | Remote Similarity | NPC475004 |
0.6364 | Remote Similarity | NPC288381 |
0.6364 | Remote Similarity | NPC20934 |
0.6364 | Remote Similarity | NPC236208 |
0.6364 | Remote Similarity | NPC291437 |
0.6341 | Remote Similarity | NPC231739 |
0.6341 | Remote Similarity | NPC326753 |
0.6329 | Remote Similarity | NPC470435 |
0.6324 | Remote Similarity | NPC217188 |
0.6324 | Remote Similarity | NPC284224 |
0.6322 | Remote Similarity | NPC186332 |
0.6322 | Remote Similarity | NPC47220 |
0.6316 | Remote Similarity | NPC475443 |
0.6316 | Remote Similarity | NPC473829 |
0.6316 | Remote Similarity | NPC99619 |
0.6316 | Remote Similarity | NPC132286 |
0.6316 | Remote Similarity | NPC26500 |
0.631 | Remote Similarity | NPC315731 |
0.631 | Remote Similarity | NPC112868 |
0.6301 | Remote Similarity | NPC201939 |
0.6301 | Remote Similarity | NPC320305 |
0.6301 | Remote Similarity | NPC328776 |
0.6301 | Remote Similarity | NPC113293 |
0.6296 | Remote Similarity | NPC469880 |
0.6296 | Remote Similarity | NPC477202 |
0.629 | Remote Similarity | NPC149668 |
0.6286 | Remote Similarity | NPC472808 |
0.6286 | Remote Similarity | NPC324224 |
0.6282 | Remote Similarity | NPC316029 |
0.6282 | Remote Similarity | NPC291062 |
0.6282 | Remote Similarity | NPC94743 |
0.6282 | Remote Similarity | NPC476012 |
0.6282 | Remote Similarity | NPC4299 |
0.6267 | Remote Similarity | NPC296436 |
0.6267 | Remote Similarity | NPC176215 |
0.6267 | Remote Similarity | NPC471556 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC473752 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 |
---|---|---|---|
0.6389 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6184 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6024 | Remote Similarity | NPD4756 | Discovery |
0.5977 | Remote Similarity | NPD7154 | Phase 3 |
0.5974 | Remote Similarity | NPD3704 | Approved |
0.5921 | Remote Similarity | NPD3197 | Phase 1 |
0.5915 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.5844 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5795 | Remote Similarity | NPD5332 | Approved |
0.5795 | Remote Similarity | NPD5331 | Approved |
0.5795 | Remote Similarity | NPD6110 | Phase 1 |
0.5758 | Remote Similarity | NPD4265 | Approved |
0.5753 | Remote Similarity | NPD8779 | Phase 3 |
0.573 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD4251 | Approved |
0.5714 | Remote Similarity | NPD4250 | Approved |
0.5696 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD5363 | Approved |
0.5604 | Remote Similarity | NPD4249 | Approved |
0.5604 | Remote Similarity | NPD4623 | Approved |
0.5604 | Remote Similarity | NPD4519 | Discontinued |
PubChem CID   | 10327144 |
ChEMBL   | CHEMBL450868 |
ZINC   |
Molecular Weight:   | 670.53 |
ALogP:   | -1.4142 |
MLogP:   | 6.19 |
XLogP:   | 16.987 |
# Rotatable Bonds:   | 34 |
Polar Surface Area:   | 46.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 49 |