Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO21027 | Daphnia magna | Species | Daphniidae | Eukaryota |
PMID[20117838] |
|||
NPO3428 | Undaria pinnatifida | Species | Alariaceae | Eukaryota | TCM_Taiwan* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | TM-MC* | |||
NPO14964 | Calvatia gigantea | Species | Lycoperdaceae | Eukaryota | TM-MC* | |||
NPO17030 | Calvatia lilacina | Species | Lycoperdaceae | Eukaryota | TM-MC* | |||
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | TM-MC* | |||
NPO21845 | Calvatia fenzlii | Species | Lycoperdaceae | Eukaryota | TM-MC* | |||
NPO29463 | Pogostemon cablin | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | TM-MC* | |||
NPO523 | Tussilago farfara | Species | Asteraceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 11882.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 33491.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 1678.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 707.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 10682.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 631 | 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 NPC226027 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 |
---|---|---|
1.0 | High Similarity | NPC84636 |
1.0 | High Similarity | NPC174246 |
1.0 | High Similarity | NPC43204 |
0.9565 | High Similarity | NPC162620 |
0.9565 | High Similarity | NPC245027 |
0.9565 | High Similarity | NPC62045 |
0.9111 | High Similarity | NPC118459 |
0.9111 | High Similarity | NPC327698 |
0.8889 | High Similarity | NPC325097 |
0.8889 | High Similarity | NPC126925 |
0.8889 | High Similarity | NPC132307 |
0.8491 | Intermediate Similarity | NPC190385 |
0.8333 | Intermediate Similarity | NPC316826 |
0.8333 | Intermediate Similarity | NPC317143 |
0.8302 | Intermediate Similarity | NPC318260 |
0.8222 | Intermediate Similarity | NPC168375 |
0.8222 | Intermediate Similarity | NPC326992 |
0.8222 | Intermediate Similarity | NPC121517 |
0.8182 | Intermediate Similarity | NPC329564 |
0.8182 | Intermediate Similarity | NPC327170 |
0.8163 | Intermediate Similarity | NPC93081 |
0.8163 | Intermediate Similarity | NPC140872 |
0.8 | Intermediate Similarity | NPC324825 |
0.8 | Intermediate Similarity | NPC316231 |
0.8 | Intermediate Similarity | NPC112890 |
0.8 | Intermediate Similarity | NPC321468 |
0.8 | Intermediate Similarity | NPC327748 |
0.7963 | Intermediate Similarity | NPC317147 |
0.7872 | Intermediate Similarity | NPC167986 |
0.7872 | Intermediate Similarity | NPC291186 |
0.7843 | Intermediate Similarity | NPC273330 |
0.7843 | Intermediate Similarity | NPC137958 |
0.7692 | Intermediate Similarity | NPC322946 |
0.7647 | Intermediate Similarity | NPC328378 |
0.7593 | Intermediate Similarity | NPC2801 |
0.7551 | Intermediate Similarity | NPC329263 |
0.7547 | Intermediate Similarity | NPC197087 |
0.7547 | Intermediate Similarity | NPC190184 |
0.75 | Intermediate Similarity | NPC276294 |
0.7455 | Intermediate Similarity | NPC38463 |
0.7447 | Intermediate Similarity | NPC53449 |
0.7447 | Intermediate Similarity | NPC66043 |
0.7407 | Intermediate Similarity | NPC321118 |
0.7407 | Intermediate Similarity | NPC316889 |
0.7407 | Intermediate Similarity | NPC279661 |
0.7407 | Intermediate Similarity | NPC183845 |
0.7358 | Intermediate Similarity | NPC155512 |
0.7347 | Intermediate Similarity | NPC323974 |
0.7333 | Intermediate Similarity | NPC272614 |
0.7333 | Intermediate Similarity | NPC21290 |
0.7333 | Intermediate Similarity | NPC116709 |
0.7321 | Intermediate Similarity | NPC278209 |
0.7193 | Intermediate Similarity | NPC176164 |
0.7193 | Intermediate Similarity | NPC189301 |
0.7143 | Intermediate Similarity | NPC325985 |
0.7097 | Intermediate Similarity | NPC188231 |
0.7097 | Intermediate Similarity | NPC222327 |
0.7069 | Intermediate Similarity | NPC254541 |
0.7059 | Intermediate Similarity | NPC136476 |
0.7059 | Intermediate Similarity | NPC49952 |
0.7021 | Intermediate Similarity | NPC18188 |
0.7 | Intermediate Similarity | NPC198301 |
0.6981 | Remote Similarity | NPC270805 |
0.6981 | Remote Similarity | NPC152451 |
0.6981 | Remote Similarity | NPC170739 |
0.6981 | Remote Similarity | NPC193989 |
0.6981 | Remote Similarity | NPC93888 |
0.6964 | Remote Similarity | NPC322573 |
0.6957 | Remote Similarity | NPC9294 |
0.6923 | Remote Similarity | NPC101249 |
0.6923 | Remote Similarity | NPC136159 |
0.6897 | Remote Similarity | NPC319279 |
0.6897 | Remote Similarity | NPC11433 |
0.6897 | Remote Similarity | NPC302003 |
0.6897 | Remote Similarity | NPC245346 |
0.6875 | Remote Similarity | NPC15864 |
0.6863 | Remote Similarity | NPC208793 |
0.6863 | Remote Similarity | NPC285322 |
0.6852 | Remote Similarity | NPC315977 |
0.6809 | Remote Similarity | NPC63621 |
0.6792 | Remote Similarity | NPC153370 |
0.678 | Remote Similarity | NPC268927 |
0.678 | Remote Similarity | NPC276928 |
0.678 | Remote Similarity | NPC64250 |
0.678 | Remote Similarity | NPC320598 |
0.678 | Remote Similarity | NPC321536 |
0.6735 | Remote Similarity | NPC237525 |
0.6735 | Remote Similarity | NPC326212 |
0.6731 | Remote Similarity | NPC297220 |
0.6731 | Remote Similarity | NPC309658 |
0.6667 | Remote Similarity | NPC68974 |
0.6667 | Remote Similarity | NPC143722 |
0.6607 | Remote Similarity | NPC263065 |
0.6607 | Remote Similarity | NPC189178 |
0.6607 | Remote Similarity | NPC317815 |
0.6604 | Remote Similarity | NPC204364 |
0.6567 | Remote Similarity | NPC315897 |
0.6557 | Remote Similarity | NPC118429 |
0.6545 | Remote Similarity | NPC125736 |
0.6545 | Remote Similarity | NPC50457 |
0.6508 | Remote Similarity | NPC50047 |
0.6444 | Remote Similarity | NPC280532 |
0.6429 | Remote Similarity | NPC200550 |
0.6429 | Remote Similarity | NPC155156 |
0.6415 | Remote Similarity | NPC198196 |
0.6415 | Remote Similarity | NPC185755 |
0.6415 | Remote Similarity | NPC213876 |
0.6379 | Remote Similarity | NPC102815 |
0.6377 | Remote Similarity | NPC327272 |
0.6364 | Remote Similarity | NPC472579 |
0.6349 | Remote Similarity | NPC106216 |
0.6349 | Remote Similarity | NPC103130 |
0.6349 | Remote Similarity | NPC88898 |
0.6349 | Remote Similarity | NPC226453 |
0.6349 | Remote Similarity | NPC289691 |
0.6308 | Remote Similarity | NPC314221 |
0.6308 | Remote Similarity | NPC60424 |
0.6296 | Remote Similarity | NPC181588 |
0.6275 | Remote Similarity | NPC226265 |
0.6275 | Remote Similarity | NPC326808 |
0.6275 | Remote Similarity | NPC219143 |
0.6275 | Remote Similarity | NPC254482 |
0.6275 | Remote Similarity | NPC110533 |
0.6275 | Remote Similarity | NPC317691 |
0.625 | Remote Similarity | NPC174304 |
0.625 | Remote Similarity | NPC325597 |
0.625 | Remote Similarity | NPC278881 |
0.6232 | Remote Similarity | NPC476248 |
0.6207 | Remote Similarity | NPC60672 |
0.6207 | Remote Similarity | NPC322091 |
0.62 | Remote Similarity | NPC3531 |
0.6182 | Remote Similarity | NPC327542 |
0.6154 | Remote Similarity | NPC325534 |
0.6154 | Remote Similarity | NPC470108 |
0.6154 | Remote Similarity | NPC327985 |
0.614 | Remote Similarity | NPC29950 |
0.614 | Remote Similarity | NPC19576 |
0.6122 | Remote Similarity | NPC252843 |
0.6119 | Remote Similarity | NPC322274 |
0.6119 | Remote Similarity | NPC133183 |
0.6102 | Remote Similarity | NPC327831 |
0.6061 | Remote Similarity | NPC221764 |
0.6061 | Remote Similarity | NPC470109 |
0.6061 | Remote Similarity | NPC135539 |
0.6061 | Remote Similarity | NPC118524 |
0.6061 | Remote Similarity | NPC196359 |
0.6061 | Remote Similarity | NPC78312 |
0.6032 | Remote Similarity | NPC302188 |
0.6 | Remote Similarity | NPC104195 |
0.6 | Remote Similarity | NPC122768 |
0.6 | Remote Similarity | NPC174368 |
0.6 | Remote Similarity | NPC38930 |
0.6 | Remote Similarity | NPC151140 |
0.6 | Remote Similarity | NPC325454 |
0.6 | Remote Similarity | NPC61066 |
0.597 | Remote Similarity | NPC470110 |
0.597 | Remote Similarity | NPC107224 |
0.597 | Remote Similarity | NPC319046 |
0.5965 | Remote Similarity | NPC114990 |
0.5962 | Remote Similarity | NPC325452 |
0.5962 | Remote Similarity | NPC248763 |
0.5957 | Remote Similarity | NPC114517 |
0.5926 | Remote Similarity | NPC191136 |
0.5909 | Remote Similarity | NPC287693 |
0.5893 | Remote Similarity | NPC227850 |
0.5882 | Remote Similarity | NPC126779 |
0.5882 | Remote Similarity | NPC327250 |
0.5873 | Remote Similarity | NPC321419 |
0.5873 | Remote Similarity | NPC177191 |
0.5849 | Remote Similarity | NPC107645 |
0.5846 | Remote Similarity | NPC315744 |
0.5818 | Remote Similarity | NPC228932 |
0.5797 | Remote Similarity | NPC478256 |
0.5789 | Remote Similarity | NPC17244 |
0.5789 | Remote Similarity | NPC286989 |
0.5778 | Remote Similarity | NPC126681 |
0.5769 | Remote Similarity | NPC240109 |
0.5763 | Remote Similarity | NPC329495 |
0.5763 | Remote Similarity | NPC8488 |
0.5763 | Remote Similarity | NPC333075 |
0.5763 | Remote Similarity | NPC274499 |
0.5714 | Remote Similarity | NPC316168 |
0.5714 | Remote Similarity | NPC328457 |
0.5714 | Remote Similarity | NPC118187 |
0.5696 | Remote Similarity | NPC69374 |
0.5696 | Remote Similarity | NPC90476 |
0.5692 | Remote Similarity | NPC327252 |
0.569 | Remote Similarity | NPC319175 |
0.569 | Remote Similarity | NPC327239 |
0.5667 | Remote Similarity | NPC145235 |
0.5658 | Remote Similarity | NPC314466 |
0.5641 | Remote Similarity | NPC320936 |
0.5634 | Remote Similarity | NPC185084 |
0.5625 | Remote Similarity | NPC175342 |
0.5614 | Remote Similarity | NPC193872 |
0.5614 | Remote Similarity | NPC318523 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC226027 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 | NPD9017 | Approved |
0.9565 | High Similarity | NPD9018 | Approved |
0.8889 | High Similarity | NPD8798 | Approved |
0.8491 | Intermediate Similarity | NPD9023 | Clinical (unspecified phase) |
0.8367 | Intermediate Similarity | NPD9016 | Clinical (unspecified phase) |
0.8163 | Intermediate Similarity | NPD8809 | Approved |
0.8163 | Intermediate Similarity | NPD8808 | Approved |
0.8 | Intermediate Similarity | NPD9044 | Approved |
0.7872 | Intermediate Similarity | NPD8804 | Approved |
0.7872 | Intermediate Similarity | NPD8805 | Approved |
0.7843 | Intermediate Similarity | NPD8871 | Approved |
0.7843 | Intermediate Similarity | NPD8872 | Phase 3 |
0.7755 | Intermediate Similarity | NPD8801 | Approved |
0.7692 | Intermediate Similarity | NPD9441 | Phase 2 |
0.7647 | Intermediate Similarity | NPD8946 | Approved |
0.7647 | Intermediate Similarity | NPD8947 | Approved |
0.76 | Intermediate Similarity | NPD8850 | Approved |
0.7547 | Intermediate Similarity | NPD8785 | Approved |
0.7547 | Intermediate Similarity | NPD8851 | Phase 1 |
0.7455 | Intermediate Similarity | NPD8980 | Approved |
0.7455 | Intermediate Similarity | NPD8981 | Clinical (unspecified phase) |
0.7455 | Intermediate Similarity | NPD8979 | Approved |
0.7455 | Intermediate Similarity | NPD9454 | Approved |
0.7347 | Intermediate Similarity | NPD9019 | Approved |
0.7333 | Intermediate Similarity | NPD8210 | Phase 3 |
0.7333 | Intermediate Similarity | NPD8211 | Approved |
0.7288 | Intermediate Similarity | NPD9676 | Phase 3 |
0.7193 | Intermediate Similarity | NPD9433 | Approved |
0.7097 | Intermediate Similarity | NPD9421 | Phase 1 |
0.7021 | Intermediate Similarity | NPD8623 | Phase 1 |
0.6981 | Remote Similarity | NPD9021 | Approved |
0.6981 | Remote Similarity | NPD8803 | Clinical (unspecified phase) |
0.6981 | Remote Similarity | NPD8802 | Approved |
0.6981 | Remote Similarity | NPD8624 | Approved |
0.6923 | Remote Similarity | NPD8867 | Approved |
0.6923 | Remote Similarity | NPD8866 | Approved |
0.6897 | Remote Similarity | NPD9438 | Approved |
0.6897 | Remote Similarity | NPD8865 | Approved |
0.6897 | Remote Similarity | NPD9439 | Approved |
0.6863 | Remote Similarity | NPD8610 | Approved |
0.6792 | Remote Similarity | NPD8614 | Approved |
0.6667 | Remote Similarity | NPD9201 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8971 | Approved |
0.6607 | Remote Similarity | NPD9204 | Approved |
0.6607 | Remote Similarity | NPD9205 | Approved |
0.6567 | Remote Similarity | NPD1825 | Clinical (unspecified phase) |
0.6557 | Remote Similarity | NPD9014 | Approved |
0.6471 | Remote Similarity | NPD9217 | Clinical (unspecified phase) |
0.6415 | Remote Similarity | NPD9020 | Approved |
0.6415 | Remote Similarity | NPD8982 | Approved |
0.6377 | Remote Similarity | NPD632 | Discontinued |
0.6349 | Remote Similarity | NPD9045 | Approved |
0.6349 | Remote Similarity | NPD9046 | Phase 3 |
0.6349 | Remote Similarity | NPD9047 | Approved |
0.6349 | Remote Similarity | NPD9048 | Approved |
0.6324 | Remote Similarity | NPD1147 | Phase 2 |
0.6316 | Remote Similarity | NPD8849 | Clinical (unspecified phase) |
0.6308 | Remote Similarity | NPD9231 | Phase 3 |
0.6308 | Remote Similarity | NPD886 | Clinical (unspecified phase) |
0.6308 | Remote Similarity | NPD1429 | Clinical (unspecified phase) |
0.6308 | Remote Similarity | NPD9233 | Phase 3 |
0.6308 | Remote Similarity | NPD9232 | Phase 2 |
0.6296 | Remote Similarity | NPD8810 | Clinical (unspecified phase) |
0.6296 | Remote Similarity | NPD8972 | Approved |
0.6296 | Remote Similarity | NPD8973 | Approved |
0.6275 | Remote Similarity | NPD8215 | Approved |
0.6275 | Remote Similarity | NPD8609 | Approved |
0.6275 | Remote Similarity | NPD8214 | Approved |
0.6275 | Remote Similarity | NPD8217 | Clinical (unspecified phase) |
0.6275 | Remote Similarity | NPD8216 | Approved |
0.625 | Remote Similarity | NPD9212 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD348 | Approved |
0.6212 | Remote Similarity | NPD9451 | Clinical (unspecified phase) |
0.62 | Remote Similarity | NPD77 | Approved |
0.62 | Remote Similarity | NPD9450 | Approved |
0.6182 | Remote Similarity | NPD8873 | Approved |
0.6154 | Remote Similarity | NPD8952 | Approved |
0.614 | Remote Similarity | NPD8846 | Approved |
0.614 | Remote Similarity | NPD8847 | Approved |
0.614 | Remote Similarity | NPD61 | Approved |
0.6078 | Remote Similarity | NPD9635 | Discontinued |
0.6061 | Remote Similarity | NPD8868 | Approved |
0.6061 | Remote Similarity | NPD375 | Phase 2 |
0.6032 | Remote Similarity | NPD9656 | Approved |
0.6027 | Remote Similarity | NPD617 | Approved |
0.597 | Remote Similarity | NPD337 | Discontinued |
0.597 | Remote Similarity | NPD4241 | Registered |
0.5965 | Remote Similarity | NPD9025 | Approved |
0.5942 | Remote Similarity | NPD2262 | Clinical (unspecified phase) |
0.5921 | Remote Similarity | NPD7643 | Phase 1 |
0.5882 | Remote Similarity | NPD4242 | Approved |
0.5857 | Remote Similarity | NPD6944 | Clinical (unspecified phase) |
0.5821 | Remote Similarity | NPD2263 | Discontinued |
0.5821 | Remote Similarity | NPD8842 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD9230 | Discontinued |
0.5781 | Remote Similarity | NPD574 | Approved |
0.5778 | Remote Similarity | NPD7371 | Approved |
0.5775 | Remote Similarity | NPD9109 | Discontinued |
0.5714 | Remote Similarity | NPD8208 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD9447 | Approved |
0.5714 | Remote Similarity | NPD8209 | Phase 2 |
0.5692 | Remote Similarity | NPD575 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD630 | Approved |
0.5667 | Remote Similarity | NPD631 | Approved |
0.5652 | Remote Similarity | NPD3724 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD3733 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD9658 | Clinical (unspecified phase) |
0.5614 | Remote Similarity | NPD9214 | Phase 3 |
0.5614 | Remote Similarity | NPD9213 | Approved |
0.5606 | Remote Similarity | NPD1151 | Approved |
PubChem CID   | 57397079;791 |
ChEMBL   | CHEMBL297800 |
ZINC   |
Molecular Weight:   | 131.09 |
ALogP:   | -1.2501 |
MLogP:   | 1.79 |
XLogP:   | -1.6 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 63.32 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 9 |