Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO8698 | Zanthoxylum schinifolium | Species | Rutaceae | Eukaryota | TCM_Taiwan* | |||
NPO5315 | Zanthoxylum bungeanum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO9290 | Zanthoxylum piperitum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO8698 | Zanthoxylum schinifolium | Species | Rutaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 61644.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 76958.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54941 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 68589.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT162 | Individual Protein | Heat shock protein beta-1 | Homo sapiens | Potency | 61644.8 | nM | PubChem BioAssay data set | |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 61644.8 | nM | PubChem BioAssay data set | |
NPT163 | Individual Protein | Nuclear factor NF-kappa-B p105 subunit | Homo sapiens | Potency | 54941 | nM | PubChem BioAssay data set | |
NPT74 | Individual Protein | Proto-oncogene c-JUN | Homo sapiens | Potency | 54941 | 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 NPC216407 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 |
---|---|---|
0.92 | High Similarity | NPC170167 |
0.9 | High Similarity | NPC244452 |
0.88 | High Similarity | NPC289388 |
0.8235 | Intermediate Similarity | NPC234597 |
0.8182 | Intermediate Similarity | NPC252860 |
0.7925 | Intermediate Similarity | NPC48162 |
0.7885 | Intermediate Similarity | NPC163345 |
0.7843 | Intermediate Similarity | NPC276009 |
0.7843 | Intermediate Similarity | NPC22098 |
0.7843 | Intermediate Similarity | NPC195246 |
0.7719 | Intermediate Similarity | NPC165808 |
0.7679 | Intermediate Similarity | NPC477984 |
0.7679 | Intermediate Similarity | NPC67367 |
0.7636 | Intermediate Similarity | NPC139545 |
0.7636 | Intermediate Similarity | NPC39633 |
0.7636 | Intermediate Similarity | NPC309606 |
0.7581 | Intermediate Similarity | NPC126899 |
0.7581 | Intermediate Similarity | NPC304665 |
0.7581 | Intermediate Similarity | NPC154728 |
0.7547 | Intermediate Similarity | NPC149821 |
0.7547 | Intermediate Similarity | NPC5413 |
0.7544 | Intermediate Similarity | NPC141699 |
0.7544 | Intermediate Similarity | NPC473936 |
0.7541 | Intermediate Similarity | NPC34883 |
0.7541 | Intermediate Similarity | NPC234767 |
0.75 | Intermediate Similarity | NPC144511 |
0.75 | Intermediate Similarity | NPC296522 |
0.7455 | Intermediate Similarity | NPC151919 |
0.7407 | Intermediate Similarity | NPC142103 |
0.7407 | Intermediate Similarity | NPC224227 |
0.7385 | Intermediate Similarity | NPC472955 |
0.7385 | Intermediate Similarity | NPC472017 |
0.7385 | Intermediate Similarity | NPC475310 |
0.7377 | Intermediate Similarity | NPC155849 |
0.7368 | Intermediate Similarity | NPC228473 |
0.7368 | Intermediate Similarity | NPC10316 |
0.7368 | Intermediate Similarity | NPC223677 |
0.7368 | Intermediate Similarity | NPC28779 |
0.7368 | Intermediate Similarity | NPC128061 |
0.7368 | Intermediate Similarity | NPC200845 |
0.7368 | Intermediate Similarity | NPC46151 |
0.7358 | Intermediate Similarity | NPC216130 |
0.7358 | Intermediate Similarity | NPC207292 |
0.7321 | Intermediate Similarity | NPC71761 |
0.7288 | Intermediate Similarity | NPC329819 |
0.7273 | Intermediate Similarity | NPC148056 |
0.7273 | Intermediate Similarity | NPC129665 |
0.7273 | Intermediate Similarity | NPC28205 |
0.7273 | Intermediate Similarity | NPC262968 |
0.7273 | Intermediate Similarity | NPC163003 |
0.7255 | Intermediate Similarity | NPC106819 |
0.7231 | Intermediate Similarity | NPC107130 |
0.7231 | Intermediate Similarity | NPC199557 |
0.7222 | Intermediate Similarity | NPC135698 |
0.7213 | Intermediate Similarity | NPC174560 |
0.7213 | Intermediate Similarity | NPC125312 |
0.7188 | Intermediate Similarity | NPC472875 |
0.7164 | Intermediate Similarity | NPC58956 |
0.7164 | Intermediate Similarity | NPC238425 |
0.7164 | Intermediate Similarity | NPC470237 |
0.7164 | Intermediate Similarity | NPC474543 |
0.7164 | Intermediate Similarity | NPC472018 |
0.7164 | Intermediate Similarity | NPC269206 |
0.7164 | Intermediate Similarity | NPC295633 |
0.7164 | Intermediate Similarity | NPC135703 |
0.7143 | Intermediate Similarity | NPC92114 |
0.7143 | Intermediate Similarity | NPC281245 |
0.7121 | Intermediate Similarity | NPC67183 |
0.7121 | Intermediate Similarity | NPC69462 |
0.7097 | Intermediate Similarity | NPC474658 |
0.7097 | Intermediate Similarity | NPC322457 |
0.7091 | Intermediate Similarity | NPC27264 |
0.7091 | Intermediate Similarity | NPC32351 |
0.7059 | Intermediate Similarity | NPC140287 |
0.7059 | Intermediate Similarity | NPC166797 |
0.7059 | Intermediate Similarity | NPC472966 |
0.7059 | Intermediate Similarity | NPC476355 |
0.7059 | Intermediate Similarity | NPC306928 |
0.7059 | Intermediate Similarity | NPC474551 |
0.7049 | Intermediate Similarity | NPC19241 |
0.7037 | Intermediate Similarity | NPC91962 |
0.7037 | Intermediate Similarity | NPC91495 |
0.7031 | Intermediate Similarity | NPC322035 |
0.7031 | Intermediate Similarity | NPC100719 |
0.7031 | Intermediate Similarity | NPC166791 |
0.7031 | Intermediate Similarity | NPC142423 |
0.7031 | Intermediate Similarity | NPC477982 |
0.7031 | Intermediate Similarity | NPC308294 |
0.7018 | Intermediate Similarity | NPC70387 |
0.7018 | Intermediate Similarity | NPC321062 |
0.7018 | Intermediate Similarity | NPC1813 |
0.7018 | Intermediate Similarity | NPC36061 |
0.7018 | Intermediate Similarity | NPC294548 |
0.7018 | Intermediate Similarity | NPC139029 |
0.7015 | Intermediate Similarity | NPC126061 |
0.6981 | Remote Similarity | NPC117572 |
0.6981 | Remote Similarity | NPC24824 |
0.6981 | Remote Similarity | NPC210560 |
0.6981 | Remote Similarity | NPC165651 |
0.6964 | Remote Similarity | NPC27438 |
0.6964 | Remote Similarity | NPC284212 |
0.6957 | Remote Similarity | NPC244166 |
0.6957 | Remote Similarity | NPC155587 |
0.6957 | Remote Similarity | NPC475861 |
0.6957 | Remote Similarity | NPC138408 |
0.6957 | Remote Similarity | NPC255060 |
0.6957 | Remote Similarity | NPC324762 |
0.6957 | Remote Similarity | NPC226669 |
0.6957 | Remote Similarity | NPC193351 |
0.6949 | Remote Similarity | NPC96663 |
0.6923 | Remote Similarity | NPC60120 |
0.6923 | Remote Similarity | NPC194871 |
0.6912 | Remote Similarity | NPC167145 |
0.6909 | Remote Similarity | NPC15912 |
0.6909 | Remote Similarity | NPC207815 |
0.6897 | Remote Similarity | NPC281972 |
0.6897 | Remote Similarity | NPC88966 |
0.6897 | Remote Similarity | NPC95581 |
0.6897 | Remote Similarity | NPC6095 |
0.6897 | Remote Similarity | NPC85813 |
0.6897 | Remote Similarity | NPC154245 |
0.6897 | Remote Similarity | NPC63396 |
0.6897 | Remote Similarity | NPC261831 |
0.6897 | Remote Similarity | NPC202850 |
0.6897 | Remote Similarity | NPC424 |
0.6897 | Remote Similarity | NPC137538 |
0.6897 | Remote Similarity | NPC25417 |
0.6897 | Remote Similarity | NPC290563 |
0.6897 | Remote Similarity | NPC32467 |
0.6897 | Remote Similarity | NPC87564 |
0.6875 | Remote Similarity | NPC470688 |
0.6866 | Remote Similarity | NPC318766 |
0.6857 | Remote Similarity | NPC474447 |
0.6857 | Remote Similarity | NPC110461 |
0.6857 | Remote Similarity | NPC899 |
0.6857 | Remote Similarity | NPC235906 |
0.6857 | Remote Similarity | NPC123360 |
0.6857 | Remote Similarity | NPC471726 |
0.6857 | Remote Similarity | NPC40353 |
0.6857 | Remote Similarity | NPC12740 |
0.6857 | Remote Similarity | NPC472967 |
0.6857 | Remote Similarity | NPC239127 |
0.6857 | Remote Similarity | NPC61863 |
0.6857 | Remote Similarity | NPC472959 |
0.6857 | Remote Similarity | NPC473223 |
0.6857 | Remote Similarity | NPC474527 |
0.6857 | Remote Similarity | NPC266159 |
0.6852 | Remote Similarity | NPC8610 |
0.6852 | Remote Similarity | NPC262558 |
0.6842 | Remote Similarity | NPC161366 |
0.6818 | Remote Similarity | NPC53302 |
0.6818 | Remote Similarity | NPC470256 |
0.6818 | Remote Similarity | NPC476614 |
0.6812 | Remote Similarity | NPC294434 |
0.6812 | Remote Similarity | NPC474758 |
0.6812 | Remote Similarity | NPC259599 |
0.6812 | Remote Similarity | NPC117746 |
0.6812 | Remote Similarity | NPC330016 |
0.6812 | Remote Similarity | NPC15499 |
0.6786 | Remote Similarity | NPC59051 |
0.678 | Remote Similarity | NPC275472 |
0.678 | Remote Similarity | NPC52264 |
0.678 | Remote Similarity | NPC474672 |
0.678 | Remote Similarity | NPC473863 |
0.678 | Remote Similarity | NPC274290 |
0.6774 | Remote Similarity | NPC229252 |
0.6774 | Remote Similarity | NPC143857 |
0.6769 | Remote Similarity | NPC18252 |
0.6765 | Remote Similarity | NPC288667 |
0.6765 | Remote Similarity | NPC160817 |
0.6761 | Remote Similarity | NPC65603 |
0.6761 | Remote Similarity | NPC141789 |
0.6761 | Remote Similarity | NPC57744 |
0.6761 | Remote Similarity | NPC107668 |
0.6761 | Remote Similarity | NPC476264 |
0.6761 | Remote Similarity | NPC7563 |
0.6761 | Remote Similarity | NPC320630 |
0.6761 | Remote Similarity | NPC476325 |
0.6761 | Remote Similarity | NPC97516 |
0.6761 | Remote Similarity | NPC116177 |
0.6761 | Remote Similarity | NPC472300 |
0.6761 | Remote Similarity | NPC187568 |
0.6761 | Remote Similarity | NPC171204 |
0.6761 | Remote Similarity | NPC470240 |
0.6761 | Remote Similarity | NPC474760 |
0.6761 | Remote Similarity | NPC41780 |
0.6761 | Remote Similarity | NPC15975 |
0.6761 | Remote Similarity | NPC476028 |
0.6761 | Remote Similarity | NPC195785 |
0.6761 | Remote Similarity | NPC476794 |
0.6731 | Remote Similarity | NPC187922 |
0.6724 | Remote Similarity | NPC45283 |
0.6724 | Remote Similarity | NPC268564 |
0.6724 | Remote Similarity | NPC474141 |
0.6719 | Remote Similarity | NPC469723 |
0.6716 | Remote Similarity | NPC477449 |
0.6716 | Remote Similarity | NPC477448 |
0.6716 | Remote Similarity | NPC473603 |
0.6716 | Remote Similarity | NPC261398 |
0.6716 | Remote Similarity | NPC265574 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC216407 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 |
---|---|---|---|
0.8 | Intermediate Similarity | NPD3174 | Discontinued |
0.7547 | Intermediate Similarity | NPD3173 | Approved |
0.7358 | Intermediate Similarity | NPD5343 | Approved |
0.7273 | Intermediate Similarity | NPD28 | Approved |
0.7273 | Intermediate Similarity | NPD29 | Approved |
0.7018 | Intermediate Similarity | NPD3172 | Approved |
0.6981 | Remote Similarity | NPD4222 | Approved |
0.6964 | Remote Similarity | NPD6927 | Phase 3 |
0.6897 | Remote Similarity | NPD4266 | Approved |
0.6897 | Remote Similarity | NPD3195 | Phase 2 |
0.6897 | Remote Similarity | NPD3196 | Approved |
0.6897 | Remote Similarity | NPD3194 | Approved |
0.6792 | Remote Similarity | NPD6096 | Approved |
0.6792 | Remote Similarity | NPD6097 | Approved |
0.6735 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.6714 | Remote Similarity | NPD8039 | Approved |
0.6667 | Remote Similarity | NPD39 | Approved |
0.6615 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD622 | Approved |
0.6333 | Remote Similarity | NPD9298 | Approved |
0.6327 | Remote Similarity | NPD9447 | Approved |
0.6316 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6296 | Remote Similarity | NPD5326 | Phase 3 |
0.6269 | Remote Similarity | NPD7331 | Phase 2 |
0.625 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6234 | Remote Similarity | NPD5362 | Discontinued |
0.6234 | Remote Similarity | NPD7154 | Phase 3 |
0.6216 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6212 | Remote Similarity | NPD3197 | Phase 1 |
0.6184 | Remote Similarity | NPD5369 | Approved |
0.6154 | Remote Similarity | NPD77 | Approved |
0.6154 | Remote Similarity | NPD9450 | Approved |
0.6154 | Remote Similarity | NPD5783 | Phase 3 |
0.6104 | Remote Similarity | NPD6435 | Approved |
0.6104 | Remote Similarity | NPD5209 | Approved |
0.6076 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD634 | Phase 3 |
0.6053 | Remote Similarity | NPD4252 | Approved |
0.6053 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6053 | Remote Similarity | NPD5368 | Approved |
0.6029 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5330 | Approved |
0.6 | Remote Similarity | NPD4268 | Approved |
0.6 | Remote Similarity | NPD6409 | Approved |
0.6 | Remote Similarity | NPD7334 | Approved |
0.6 | Remote Similarity | NPD7146 | Approved |
0.6 | Remote Similarity | NPD6684 | Approved |
0.6 | Remote Similarity | NPD7521 | Approved |
0.6 | Remote Similarity | NPD4271 | Approved |
0.6 | Remote Similarity | NPD6422 | Discontinued |
0.5974 | Remote Similarity | NPD857 | Phase 3 |
0.597 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5968 | Remote Similarity | NPD342 | Phase 1 |
0.5942 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD6109 | Phase 1 |
0.5938 | Remote Similarity | NPD287 | Approved |
0.5897 | Remote Similarity | NPD4269 | Approved |
0.5897 | Remote Similarity | NPD4270 | Approved |
0.5882 | Remote Similarity | NPD7341 | Phase 2 |
0.5875 | Remote Similarity | NPD1694 | Approved |
0.5867 | Remote Similarity | NPD4756 | Discovery |
0.5862 | Remote Similarity | NPD2266 | Phase 2 |
0.5854 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5854 | Remote Similarity | NPD6903 | Approved |
0.5854 | Remote Similarity | NPD6672 | Approved |
0.5854 | Remote Similarity | NPD5737 | Approved |
0.5844 | Remote Similarity | NPD4820 | Approved |
0.5844 | Remote Similarity | NPD4821 | Approved |
0.5844 | Remote Similarity | NPD4819 | Approved |
0.5844 | Remote Similarity | NPD4822 | Approved |
0.5823 | Remote Similarity | NPD5332 | Approved |
0.5823 | Remote Similarity | NPD5331 | Approved |
0.5818 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.5802 | Remote Similarity | NPD6098 | Approved |
0.5802 | Remote Similarity | NPD5786 | Approved |
0.5789 | Remote Similarity | NPD3732 | Approved |
0.5783 | Remote Similarity | NPD1695 | Approved |
0.5783 | Remote Similarity | NPD6101 | Approved |
0.5783 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5781 | Remote Similarity | NPD8779 | Phase 3 |
0.5769 | Remote Similarity | NPD4790 | Discontinued |
0.5769 | Remote Similarity | NPD319 | Phase 1 |
0.5763 | Remote Similarity | NPD4220 | Pre-registration |
0.5741 | Remote Similarity | NPD9635 | Discontinued |
0.5732 | Remote Similarity | NPD3573 | Approved |
0.5714 | Remote Similarity | NPD6698 | Approved |
0.5714 | Remote Similarity | NPD3673 | Approved |
0.5714 | Remote Similarity | NPD46 | Approved |
0.5714 | Remote Similarity | NPD3672 | Approved |
0.5679 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5679 | Remote Similarity | NPD5363 | Approved |
0.5672 | Remote Similarity | NPD368 | Approved |
0.5672 | Remote Similarity | NPD4193 | Approved |
0.5672 | Remote Similarity | NPD4192 | Approved |
0.5672 | Remote Similarity | NPD4194 | Approved |
0.5672 | Remote Similarity | NPD4191 | Approved |
0.5663 | Remote Similarity | NPD5208 | Approved |
0.5652 | Remote Similarity | NPD9201 | Clinical (unspecified phase) |
0.5647 | Remote Similarity | NPD7983 | Approved |
0.5647 | Remote Similarity | NPD6411 | Approved |
0.561 | Remote Similarity | NPD4249 | Approved |
PubChem CID   | 61290 |
ChEMBL   | CHEMBL3185204 |
ZINC   |
Molecular Weight:   | 184.15 |
ALogP:   | 2.2468 |
MLogP:   | 2.45 |
XLogP:   | 3.498 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 13 |