Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | = | 25.08 | ug/ml | 20000781 |
NPT148 | Cell Line | HCT-15 | Homo sapiens | ED50 | = | 24.05 | ug/ml | 20000781 |
NPT574 | Cell Line | XF498 | Homo sapiens | ED50 | = | 16.88 | ug/ml | 12662097 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | ED50 | = | 17.94 | ug/ml | 12662097 |
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | = | 22.73 | ug/ml | 9599250 |
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 NPC31121 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 |
---|---|---|
0.8462 | Intermediate Similarity | NPC213767 |
0.825 | Intermediate Similarity | NPC216416 |
0.7755 | Intermediate Similarity | NPC236872 |
0.7551 | Intermediate Similarity | NPC29234 |
0.75 | Intermediate Similarity | NPC475153 |
0.7447 | Intermediate Similarity | NPC157096 |
0.7447 | Intermediate Similarity | NPC474204 |
0.7333 | Intermediate Similarity | NPC149668 |
0.7273 | Intermediate Similarity | NPC103236 |
0.7273 | Intermediate Similarity | NPC329762 |
0.7273 | Intermediate Similarity | NPC27444 |
0.7234 | Intermediate Similarity | NPC201948 |
0.72 | Intermediate Similarity | NPC93639 |
0.7143 | Intermediate Similarity | NPC473551 |
0.7083 | Intermediate Similarity | NPC35141 |
0.7083 | Intermediate Similarity | NPC124183 |
0.7059 | Intermediate Similarity | NPC142092 |
0.7037 | Intermediate Similarity | NPC474577 |
0.7021 | Intermediate Similarity | NPC101616 |
0.7021 | Intermediate Similarity | NPC108195 |
0.7 | Intermediate Similarity | NPC301482 |
0.7 | Intermediate Similarity | NPC473768 |
0.6957 | Remote Similarity | NPC304151 |
0.6923 | Remote Similarity | NPC475723 |
0.6875 | Remote Similarity | NPC269074 |
0.6875 | Remote Similarity | NPC276825 |
0.68 | Remote Similarity | NPC85079 |
0.68 | Remote Similarity | NPC248884 |
0.68 | Remote Similarity | NPC125122 |
0.68 | Remote Similarity | NPC302310 |
0.68 | Remote Similarity | NPC153538 |
0.68 | Remote Similarity | NPC31194 |
0.68 | Remote Similarity | NPC471276 |
0.68 | Remote Similarity | NPC471275 |
0.68 | Remote Similarity | NPC471280 |
0.6735 | Remote Similarity | NPC55063 |
0.6735 | Remote Similarity | NPC180575 |
0.6735 | Remote Similarity | NPC19834 |
0.6727 | Remote Similarity | NPC121034 |
0.6667 | Remote Similarity | NPC477727 |
0.6667 | Remote Similarity | NPC471281 |
0.6667 | Remote Similarity | NPC473539 |
0.6667 | Remote Similarity | NPC474413 |
0.6667 | Remote Similarity | NPC473487 |
0.6667 | Remote Similarity | NPC72699 |
0.6667 | Remote Similarity | NPC199286 |
0.6538 | Remote Similarity | NPC197272 |
0.6538 | Remote Similarity | NPC256656 |
0.6538 | Remote Similarity | NPC224148 |
0.6538 | Remote Similarity | NPC477723 |
0.6538 | Remote Similarity | NPC294278 |
0.6538 | Remote Similarity | NPC89824 |
0.6538 | Remote Similarity | NPC165447 |
0.6538 | Remote Similarity | NPC55383 |
0.6538 | Remote Similarity | NPC9273 |
0.6538 | Remote Similarity | NPC76198 |
0.6538 | Remote Similarity | NPC170776 |
0.6538 | Remote Similarity | NPC475477 |
0.6538 | Remote Similarity | NPC129263 |
0.6538 | Remote Similarity | NPC329608 |
0.6538 | Remote Similarity | NPC471959 |
0.6538 | Remote Similarity | NPC151782 |
0.6491 | Remote Similarity | NPC473866 |
0.6429 | Remote Similarity | NPC265551 |
0.6429 | Remote Similarity | NPC212730 |
0.6415 | Remote Similarity | NPC295765 |
0.6415 | Remote Similarity | NPC473705 |
0.6383 | Remote Similarity | NPC473625 |
0.6346 | Remote Similarity | NPC249670 |
0.6346 | Remote Similarity | NPC474642 |
0.6346 | Remote Similarity | NPC473913 |
0.6316 | Remote Similarity | NPC469373 |
0.6304 | Remote Similarity | NPC306850 |
0.6304 | Remote Similarity | NPC15934 |
0.6296 | Remote Similarity | NPC187361 |
0.6296 | Remote Similarity | NPC26102 |
0.6296 | Remote Similarity | NPC284224 |
0.6296 | Remote Similarity | NPC475560 |
0.6296 | Remote Similarity | NPC34577 |
0.6296 | Remote Similarity | NPC477724 |
0.625 | Remote Similarity | NPC249801 |
0.625 | Remote Similarity | NPC46248 |
0.625 | Remote Similarity | NPC206906 |
0.6226 | Remote Similarity | NPC71053 |
0.6226 | Remote Similarity | NPC59408 |
0.62 | Remote Similarity | NPC474362 |
0.62 | Remote Similarity | NPC474202 |
0.6182 | Remote Similarity | NPC256209 |
0.6182 | Remote Similarity | NPC49059 |
0.6182 | Remote Similarity | NPC48058 |
0.6182 | Remote Similarity | NPC110732 |
0.6182 | Remote Similarity | NPC473532 |
0.6154 | Remote Similarity | NPC474445 |
0.614 | Remote Similarity | NPC44542 |
0.614 | Remote Similarity | NPC193975 |
0.6122 | Remote Similarity | NPC252978 |
0.6102 | Remote Similarity | NPC471278 |
0.6087 | Remote Similarity | NPC34873 |
0.6087 | Remote Similarity | NPC40434 |
0.6071 | Remote Similarity | NPC477725 |
0.6071 | Remote Similarity | NPC152668 |
0.6071 | Remote Similarity | NPC146551 |
0.6071 | Remote Similarity | NPC470963 |
0.6071 | Remote Similarity | NPC473721 |
0.6071 | Remote Similarity | NPC477726 |
0.6071 | Remote Similarity | NPC475353 |
0.6071 | Remote Similarity | NPC473735 |
0.6071 | Remote Similarity | NPC473910 |
0.6071 | Remote Similarity | NPC474513 |
0.6071 | Remote Similarity | NPC473725 |
0.6071 | Remote Similarity | NPC473896 |
0.6071 | Remote Similarity | NPC471239 |
0.6038 | Remote Similarity | NPC328784 |
0.6038 | Remote Similarity | NPC291437 |
0.6 | Remote Similarity | NPC325929 |
0.6 | Remote Similarity | NPC66460 |
0.6 | Remote Similarity | NPC271282 |
0.6 | Remote Similarity | NPC61177 |
0.5965 | Remote Similarity | NPC470964 |
0.5965 | Remote Similarity | NPC470967 |
0.5965 | Remote Similarity | NPC473847 |
0.5965 | Remote Similarity | NPC470968 |
0.5965 | Remote Similarity | NPC475384 |
0.5965 | Remote Similarity | NPC471960 |
0.5965 | Remote Similarity | NPC161838 |
0.5965 | Remote Similarity | NPC470969 |
0.5965 | Remote Similarity | NPC311648 |
0.5965 | Remote Similarity | NPC470966 |
0.5965 | Remote Similarity | NPC477661 |
0.5932 | Remote Similarity | NPC222852 |
0.5918 | Remote Similarity | NPC144829 |
0.5902 | Remote Similarity | NPC29697 |
0.5893 | Remote Similarity | NPC269615 |
0.5882 | Remote Similarity | NPC76976 |
0.587 | Remote Similarity | NPC174396 |
0.5862 | Remote Similarity | NPC472445 |
0.5862 | Remote Similarity | NPC594 |
0.5862 | Remote Similarity | NPC470970 |
0.5862 | Remote Similarity | NPC48968 |
0.5854 | Remote Similarity | NPC223195 |
0.5854 | Remote Similarity | NPC238135 |
0.5849 | Remote Similarity | NPC477778 |
0.5833 | Remote Similarity | NPC469694 |
0.5833 | Remote Similarity | NPC81896 |
0.5833 | Remote Similarity | NPC321919 |
0.5818 | Remote Similarity | NPC106531 |
0.5806 | Remote Similarity | NPC475221 |
0.5806 | Remote Similarity | NPC476658 |
0.5789 | Remote Similarity | NPC227135 |
0.5789 | Remote Similarity | NPC474644 |
0.5769 | Remote Similarity | NPC8597 |
0.5763 | Remote Similarity | NPC152438 |
0.5763 | Remote Similarity | NPC41180 |
0.575 | Remote Similarity | NPC230452 |
0.575 | Remote Similarity | NPC329496 |
0.5745 | Remote Similarity | NPC197039 |
0.5714 | Remote Similarity | NPC176215 |
0.5714 | Remote Similarity | NPC477781 |
0.5714 | Remote Similarity | NPC476655 |
0.5714 | Remote Similarity | NPC476657 |
0.5714 | Remote Similarity | NPC296436 |
0.5714 | Remote Similarity | NPC476654 |
0.5714 | Remote Similarity | NPC477780 |
0.5692 | Remote Similarity | NPC477980 |
0.569 | Remote Similarity | NPC474643 |
0.569 | Remote Similarity | NPC473865 |
0.5686 | Remote Similarity | NPC62014 |
0.5667 | Remote Similarity | NPC473652 |
0.5652 | Remote Similarity | NPC79544 |
0.5652 | Remote Similarity | NPC81052 |
0.5645 | Remote Similarity | NPC277570 |
0.5636 | Remote Similarity | NPC470411 |
0.5625 | Remote Similarity | NPC103213 |
0.5625 | Remote Similarity | NPC255042 |
0.5625 | Remote Similarity | NPC476659 |
0.5625 | Remote Similarity | NPC476656 |
0.5625 | Remote Similarity | NPC29091 |
0.5625 | Remote Similarity | NPC182840 |
0.5625 | Remote Similarity | NPC83965 |
0.5614 | Remote Similarity | NPC300121 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC31121 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 |
---|---|---|---|
0.5763 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
PubChem CID   | 11031387 |
ChEMBL   | CHEMBL452668 |
ZINC   |
Molecular Weight:   | 220.15 |
ALogP:   | 0.7627 |
MLogP:   | 2.78 |
XLogP:   | 3.781 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 29.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 16 |