Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine | Report on Human Biomonitoring of Environmental Chemicals in Canada (2010). ISBN 978-1-100-15618-7. Cat no. H128-1/10-601E |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | IC50 | = | 242000 | nM | 6802973 |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT347 | Cell Line | Lymphoblastoid cells | Homo sapiens | Potency | = | 7.9 | nM | PubChem BioAssay data set |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 10000 | nM | PubChem BioAssay data set | |
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 66824.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 30661.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68032 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 30388.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 27306 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 1.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 48595 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 1934.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 48966.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 61644.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54482.7 | nM | PubChem BioAssay data set |
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 NPC322888 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 |
---|---|---|
0.9186 | High Similarity | NPC38459 |
0.9111 | High Similarity | NPC174048 |
0.875 | High Similarity | NPC33756 |
0.7907 | Intermediate Similarity | NPC100980 |
0.7895 | Intermediate Similarity | NPC63479 |
0.787 | Intermediate Similarity | NPC244403 |
0.7685 | Intermediate Similarity | NPC91452 |
0.7611 | Intermediate Similarity | NPC205213 |
0.757 | Intermediate Similarity | NPC43411 |
0.7556 | Intermediate Similarity | NPC65517 |
0.7547 | Intermediate Similarity | NPC146096 |
0.7544 | Intermediate Similarity | NPC42644 |
0.7383 | Intermediate Similarity | NPC187958 |
0.735 | Intermediate Similarity | NPC235370 |
0.7345 | Intermediate Similarity | NPC204617 |
0.7312 | Intermediate Similarity | NPC204932 |
0.7234 | Intermediate Similarity | NPC270094 |
0.7227 | Intermediate Similarity | NPC8058 |
0.7128 | Intermediate Similarity | NPC4154 |
0.7105 | Intermediate Similarity | NPC161768 |
0.7079 | Intermediate Similarity | NPC215445 |
0.7049 | Intermediate Similarity | NPC246991 |
0.701 | Intermediate Similarity | NPC319826 |
0.701 | Intermediate Similarity | NPC124436 |
0.701 | Intermediate Similarity | NPC265146 |
0.6939 | Remote Similarity | NPC248817 |
0.6939 | Remote Similarity | NPC286904 |
0.6939 | Remote Similarity | NPC150837 |
0.6939 | Remote Similarity | NPC175313 |
0.6897 | Remote Similarity | NPC15350 |
0.688 | Remote Similarity | NPC139335 |
0.6869 | Remote Similarity | NPC197783 |
0.6869 | Remote Similarity | NPC155393 |
0.6818 | Remote Similarity | NPC175931 |
0.6809 | Remote Similarity | NPC322285 |
0.68 | Remote Similarity | NPC307235 |
0.68 | Remote Similarity | NPC23167 |
0.68 | Remote Similarity | NPC184169 |
0.68 | Remote Similarity | NPC407 |
0.68 | Remote Similarity | NPC280254 |
0.678 | Remote Similarity | NPC67791 |
0.6733 | Remote Similarity | NPC27974 |
0.6733 | Remote Similarity | NPC113460 |
0.6733 | Remote Similarity | NPC25493 |
0.6733 | Remote Similarity | NPC157213 |
0.6733 | Remote Similarity | NPC104216 |
0.67 | Remote Similarity | NPC252149 |
0.6667 | Remote Similarity | NPC177420 |
0.6667 | Remote Similarity | NPC98772 |
0.6667 | Remote Similarity | NPC318325 |
0.6667 | Remote Similarity | NPC258219 |
0.6667 | Remote Similarity | NPC280347 |
0.6667 | Remote Similarity | NPC242240 |
0.6667 | Remote Similarity | NPC123273 |
0.6639 | Remote Similarity | NPC33402 |
0.6602 | Remote Similarity | NPC288923 |
0.6602 | Remote Similarity | NPC277758 |
0.6602 | Remote Similarity | NPC192 |
0.6602 | Remote Similarity | NPC312304 |
0.6602 | Remote Similarity | NPC151764 |
0.6602 | Remote Similarity | NPC300478 |
0.6602 | Remote Similarity | NPC55561 |
0.6602 | Remote Similarity | NPC47950 |
0.6602 | Remote Similarity | NPC300017 |
0.6569 | Remote Similarity | NPC19680 |
0.6538 | Remote Similarity | NPC155908 |
0.6538 | Remote Similarity | NPC231150 |
0.6538 | Remote Similarity | NPC45040 |
0.6538 | Remote Similarity | NPC204210 |
0.6538 | Remote Similarity | NPC304541 |
0.6538 | Remote Similarity | NPC270547 |
0.6538 | Remote Similarity | NPC306074 |
0.6495 | Remote Similarity | NPC124576 |
0.6484 | Remote Similarity | NPC76453 |
0.6476 | Remote Similarity | NPC147284 |
0.6476 | Remote Similarity | NPC3358 |
0.6476 | Remote Similarity | NPC271440 |
0.6476 | Remote Similarity | NPC55903 |
0.6476 | Remote Similarity | NPC29373 |
0.6476 | Remote Similarity | NPC94139 |
0.6476 | Remote Similarity | NPC210497 |
0.6476 | Remote Similarity | NPC181709 |
0.6476 | Remote Similarity | NPC306884 |
0.6476 | Remote Similarity | NPC325292 |
0.6476 | Remote Similarity | NPC162314 |
0.6476 | Remote Similarity | NPC138117 |
0.6415 | Remote Similarity | NPC32977 |
0.6415 | Remote Similarity | NPC114325 |
0.6415 | Remote Similarity | NPC316301 |
0.6415 | Remote Similarity | NPC128062 |
0.6415 | Remote Similarity | NPC152415 |
0.6415 | Remote Similarity | NPC245187 |
0.6415 | Remote Similarity | NPC27323 |
0.6415 | Remote Similarity | NPC81010 |
0.6415 | Remote Similarity | NPC151715 |
0.6415 | Remote Similarity | NPC76938 |
0.6415 | Remote Similarity | NPC16649 |
0.6395 | Remote Similarity | NPC119076 |
0.6378 | Remote Similarity | NPC185313 |
0.6355 | Remote Similarity | NPC246679 |
0.6355 | Remote Similarity | NPC313650 |
0.6355 | Remote Similarity | NPC286006 |
0.6355 | Remote Similarity | NPC274678 |
0.6355 | Remote Similarity | NPC26244 |
0.6355 | Remote Similarity | NPC32714 |
0.6355 | Remote Similarity | NPC8392 |
0.6355 | Remote Similarity | NPC257182 |
0.6355 | Remote Similarity | NPC107522 |
0.6349 | Remote Similarity | NPC26576 |
0.6346 | Remote Similarity | NPC70436 |
0.6343 | Remote Similarity | NPC131379 |
0.6328 | Remote Similarity | NPC30390 |
0.6328 | Remote Similarity | NPC48909 |
0.6321 | Remote Similarity | NPC295295 |
0.6296 | Remote Similarity | NPC202986 |
0.6296 | Remote Similarity | NPC259512 |
0.6296 | Remote Similarity | NPC283711 |
0.6296 | Remote Similarity | NPC473388 |
0.6296 | Remote Similarity | NPC312132 |
0.6296 | Remote Similarity | NPC82664 |
0.6296 | Remote Similarity | NPC216520 |
0.6296 | Remote Similarity | NPC292730 |
0.6296 | Remote Similarity | NPC132271 |
0.6279 | Remote Similarity | NPC193334 |
0.6262 | Remote Similarity | NPC289769 |
0.6239 | Remote Similarity | NPC152097 |
0.6239 | Remote Similarity | NPC88420 |
0.6239 | Remote Similarity | NPC6597 |
0.6239 | Remote Similarity | NPC475078 |
0.6239 | Remote Similarity | NPC260000 |
0.6239 | Remote Similarity | NPC201967 |
0.6239 | Remote Similarity | NPC156313 |
0.6239 | Remote Similarity | NPC291789 |
0.6239 | Remote Similarity | NPC79241 |
0.6239 | Remote Similarity | NPC107619 |
0.6239 | Remote Similarity | NPC474073 |
0.6239 | Remote Similarity | NPC77492 |
0.6239 | Remote Similarity | NPC109955 |
0.6239 | Remote Similarity | NPC32674 |
0.6239 | Remote Similarity | NPC315921 |
0.6239 | Remote Similarity | NPC225464 |
0.6204 | Remote Similarity | NPC222146 |
0.6182 | Remote Similarity | NPC260775 |
0.6182 | Remote Similarity | NPC299762 |
0.6182 | Remote Similarity | NPC245561 |
0.6182 | Remote Similarity | NPC128723 |
0.6182 | Remote Similarity | NPC92730 |
0.6182 | Remote Similarity | NPC132078 |
0.6182 | Remote Similarity | NPC280869 |
0.6182 | Remote Similarity | NPC122005 |
0.6182 | Remote Similarity | NPC80027 |
0.6182 | Remote Similarity | NPC131587 |
0.6182 | Remote Similarity | NPC33675 |
0.6182 | Remote Similarity | NPC307039 |
0.6182 | Remote Similarity | NPC252821 |
0.6182 | Remote Similarity | NPC314803 |
0.6182 | Remote Similarity | NPC130193 |
0.6182 | Remote Similarity | NPC275104 |
0.6182 | Remote Similarity | NPC78119 |
0.6182 | Remote Similarity | NPC171843 |
0.6182 | Remote Similarity | NPC216468 |
0.6182 | Remote Similarity | NPC125732 |
0.6182 | Remote Similarity | NPC51333 |
0.6176 | Remote Similarity | NPC125306 |
0.6176 | Remote Similarity | NPC23837 |
0.6132 | Remote Similarity | NPC318429 |
0.6126 | Remote Similarity | NPC48730 |
0.6126 | Remote Similarity | NPC130756 |
0.6126 | Remote Similarity | NPC289381 |
0.6126 | Remote Similarity | NPC52472 |
0.6126 | Remote Similarity | NPC213730 |
0.6126 | Remote Similarity | NPC161571 |
0.6126 | Remote Similarity | NPC253746 |
0.6126 | Remote Similarity | NPC130103 |
0.6126 | Remote Similarity | NPC10588 |
0.6126 | Remote Similarity | NPC12931 |
0.6126 | Remote Similarity | NPC248573 |
0.6126 | Remote Similarity | NPC29601 |
0.6126 | Remote Similarity | NPC174911 |
0.6126 | Remote Similarity | NPC72729 |
0.6126 | Remote Similarity | NPC129373 |
0.6126 | Remote Similarity | NPC225506 |
0.6126 | Remote Similarity | NPC223393 |
0.6126 | Remote Similarity | NPC248396 |
0.6126 | Remote Similarity | NPC294741 |
0.6126 | Remote Similarity | NPC155847 |
0.6126 | Remote Similarity | NPC70201 |
0.6126 | Remote Similarity | NPC275053 |
0.6126 | Remote Similarity | NPC166761 |
0.6126 | Remote Similarity | NPC70677 |
0.6121 | Remote Similarity | NPC216122 |
0.608 | Remote Similarity | NPC90577 |
0.6071 | Remote Similarity | NPC101025 |
0.6071 | Remote Similarity | NPC472585 |
0.6071 | Remote Similarity | NPC91461 |
0.6071 | Remote Similarity | NPC100340 |
0.6071 | Remote Similarity | NPC94343 |
0.6071 | Remote Similarity | NPC7686 |
0.6071 | Remote Similarity | NPC471578 |
0.6071 | Remote Similarity | NPC80800 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC322888 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 |
---|---|---|---|
0.9186 | High Similarity | NPD9073 | Approved |
0.7907 | Intermediate Similarity | NPD9087 | Approved |
0.7778 | Intermediate Similarity | NPD911 | Approved |
0.7611 | Intermediate Similarity | NPD915 | Approved |
0.7556 | Intermediate Similarity | NPD9088 | Approved |
0.7404 | Intermediate Similarity | NPD9500 | Approved |
0.7315 | Intermediate Similarity | NPD910 | Approved |
0.7234 | Intermediate Similarity | NPD9089 | Approved |
0.717 | Intermediate Similarity | NPD9501 | Approved |
0.7143 | Intermediate Similarity | NPD1476 | Clinical (unspecified phase) |
0.713 | Intermediate Similarity | NPD9552 | Approved |
0.7128 | Intermediate Similarity | NPD9093 | Approved |
0.7034 | Intermediate Similarity | NPD1157 | Approved |
0.703 | Intermediate Similarity | NPD9251 | Approved |
0.701 | Intermediate Similarity | NPD111 | Approved |
0.693 | Remote Similarity | NPD9685 | Approved |
0.6923 | Remote Similarity | NPD1010 | Approved |
0.68 | Remote Similarity | NPD9094 | Approved |
0.678 | Remote Similarity | NPD4589 | Approved |
0.6733 | Remote Similarity | NPD9295 | Approved |
0.6562 | Remote Similarity | NPD1184 | Approved |
0.6496 | Remote Similarity | NPD191 | Approved |
0.6415 | Remote Similarity | NPD2934 | Approved |
0.6415 | Remote Similarity | NPD9296 | Approved |
0.6415 | Remote Similarity | NPD1432 | Clinical (unspecified phase) |
0.6415 | Remote Similarity | NPD2933 | Approved |
0.6379 | Remote Similarity | NPD769 | Approved |
0.6355 | Remote Similarity | NPD844 | Approved |
0.6355 | Remote Similarity | NPD2859 | Approved |
0.6355 | Remote Similarity | NPD2860 | Approved |
0.6321 | Remote Similarity | NPD845 | Approved |
0.6296 | Remote Similarity | NPD288 | Approved |
0.6273 | Remote Similarity | NPD1616 | Discontinued |
0.625 | Remote Similarity | NPD9249 | Phase 1 |
0.6239 | Remote Similarity | NPD68 | Approved |
0.6239 | Remote Similarity | NPD9096 | Approved |
0.6239 | Remote Similarity | NPD9095 | Approved |
0.6239 | Remote Similarity | NPD9097 | Approved |
0.6239 | Remote Similarity | NPD9273 | Approved |
0.622 | Remote Similarity | NPD454 | Approved |
0.6182 | Remote Similarity | NPD3020 | Approved |
0.6132 | Remote Similarity | NPD9365 | Approved |
0.6126 | Remote Similarity | NPD1242 | Phase 1 |
0.6126 | Remote Similarity | NPD289 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD1159 | Approved |
0.6071 | Remote Similarity | NPD940 | Approved |
0.6071 | Remote Similarity | NPD846 | Approved |
0.6055 | Remote Similarity | NPD1809 | Phase 2 |
0.602 | Remote Similarity | NPD9294 | Approved |
0.5985 | Remote Similarity | NPD1555 | Discontinued |
0.5965 | Remote Similarity | NPD9610 | Approved |
0.5965 | Remote Similarity | NPD9608 | Approved |
0.5948 | Remote Similarity | NPD9532 | Phase 3 |
0.5878 | Remote Similarity | NPD2372 | Approved |
0.5874 | Remote Similarity | NPD2370 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD1444 | Approved |
0.5862 | Remote Similarity | NPD968 | Approved |
0.5862 | Remote Similarity | NPD1445 | Approved |
0.5812 | Remote Similarity | NPD9265 | Clinical (unspecified phase) |
0.5812 | Remote Similarity | NPD9507 | Approved |
0.5789 | Remote Similarity | NPD829 | Discontinued |
0.5789 | Remote Similarity | NPD9721 | Approved |
0.5789 | Remote Similarity | NPD9722 | Approved |
0.5789 | Remote Similarity | NPD291 | Approved |
0.5763 | Remote Similarity | NPD74 | Approved |
0.5763 | Remote Similarity | NPD9266 | Approved |
0.575 | Remote Similarity | NPD2499 | Approved |
0.575 | Remote Similarity | NPD2500 | Approved |
0.5714 | Remote Similarity | NPD9380 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD3022 | Approved |
0.5714 | Remote Similarity | NPD1792 | Phase 2 |
0.5714 | Remote Similarity | NPD5451 | Approved |
0.5714 | Remote Similarity | NPD3021 | Approved |
0.5692 | Remote Similarity | NPD9549 | Phase 2 |
0.5685 | Remote Similarity | NPD1714 | Approved |
0.5685 | Remote Similarity | NPD1715 | Phase 1 |
0.5678 | Remote Similarity | NPD2342 | Discontinued |
0.5678 | Remote Similarity | NPD9267 | Approved |
0.5678 | Remote Similarity | NPD9263 | Approved |
0.5678 | Remote Similarity | NPD9264 | Approved |
0.5667 | Remote Similarity | NPD9376 | Approved |
0.5667 | Remote Similarity | NPD9280 | Clinical (unspecified phase) |
0.5645 | Remote Similarity | NPD694 | Clinical (unspecified phase) |
0.5643 | Remote Similarity | NPD1338 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD3364 | Phase 3 |
0.562 | Remote Similarity | NPD228 | Approved |
0.562 | Remote Similarity | NPD4978 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD470 | Approved |
0.5612 | Remote Similarity | NPD469 | Approved |
0.5606 | Remote Similarity | NPD1285 | Clinical (unspecified phase) |
PubChem CID   | 8449 |
ChEMBL   | CHEMBL1143 |
ZINC   |
Molecular Weight:   | 161.96 |
ALogP:   | 1.0283 |
MLogP:   | 1.79 |
XLogP:   | 2.025 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 9 |