Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO6444 | Humulus scandens | Species | Cannabaceae | Eukaryota | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT212 | Individual Protein | Cytochrome P450 2C9 | Homo sapiens | Inhibition | = | -10.6 | % | 17311370 |
NPT444 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens | Potency | 35481.3 | nM | PubChem BioAssay data set | |
NPT484 | Individual Protein | Luciferin 4-monooxygenase | Photinus pyralis | Potency | 18105.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 29092.9 | nM | PubChem BioAssay data set | ||
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 93.83 | % | 23571415 |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 114.66 | % | 23571415 |
NPT2 | Others | Unspecified | Potency | 33488.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 18995.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 29849.3 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 23708.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 29847 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 18833.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 17371.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 16785.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 43277.1 | nM | PubChem BioAssay data set | ||
NPT162 | Individual Protein | Heat shock protein beta-1 | Homo sapiens | Potency | 29847 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 10590.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 21689.9 | nM | PubChem BioAssay data set | ||
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 38890.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 337.8 | nM | PubChem BioAssay data set | ||
NPT163 | Individual Protein | Nuclear factor NF-kappa-B p105 subunit | Homo sapiens | Potency | 61637.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 952.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 21869.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 44668.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 39810.7 | 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 NPC148231 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 |
---|---|---|
0.7561 | Intermediate Similarity | NPC5324 |
0.7375 | Intermediate Similarity | NPC113670 |
0.7375 | Intermediate Similarity | NPC22627 |
0.7349 | Intermediate Similarity | NPC473206 |
0.7303 | Intermediate Similarity | NPC195713 |
0.7191 | Intermediate Similarity | NPC8981 |
0.7125 | Intermediate Similarity | NPC246588 |
0.7108 | Intermediate Similarity | NPC267443 |
0.7093 | Intermediate Similarity | NPC212463 |
0.7073 | Intermediate Similarity | NPC291066 |
0.7059 | Intermediate Similarity | NPC251490 |
0.7059 | Intermediate Similarity | NPC263385 |
0.6988 | Remote Similarity | NPC36440 |
0.6941 | Remote Similarity | NPC246822 |
0.6941 | Remote Similarity | NPC139416 |
0.6941 | Remote Similarity | NPC213570 |
0.6897 | Remote Similarity | NPC1901 |
0.6875 | Remote Similarity | NPC114327 |
0.6875 | Remote Similarity | NPC36357 |
0.686 | Remote Similarity | NPC72670 |
0.686 | Remote Similarity | NPC105991 |
0.6829 | Remote Similarity | NPC22786 |
0.6829 | Remote Similarity | NPC71009 |
0.6818 | Remote Similarity | NPC258492 |
0.6818 | Remote Similarity | NPC96835 |
0.6782 | Remote Similarity | NPC1008 |
0.6782 | Remote Similarity | NPC87099 |
0.6782 | Remote Similarity | NPC158028 |
0.6782 | Remote Similarity | NPC39799 |
0.6782 | Remote Similarity | NPC193578 |
0.6782 | Remote Similarity | NPC280135 |
0.6782 | Remote Similarity | NPC226999 |
0.6782 | Remote Similarity | NPC135433 |
0.6742 | Remote Similarity | NPC307195 |
0.6707 | Remote Similarity | NPC135924 |
0.6706 | Remote Similarity | NPC52330 |
0.6703 | Remote Similarity | NPC255345 |
0.6667 | Remote Similarity | NPC264470 |
0.6627 | Remote Similarity | NPC66517 |
0.6627 | Remote Similarity | NPC29680 |
0.6627 | Remote Similarity | NPC200745 |
0.6625 | Remote Similarity | NPC198841 |
0.6548 | Remote Similarity | NPC88566 |
0.6548 | Remote Similarity | NPC21211 |
0.6543 | Remote Similarity | NPC120441 |
0.6543 | Remote Similarity | NPC300345 |
0.6543 | Remote Similarity | NPC212114 |
0.6543 | Remote Similarity | NPC65873 |
0.6522 | Remote Similarity | NPC66270 |
0.6522 | Remote Similarity | NPC245896 |
0.6506 | Remote Similarity | NPC54368 |
0.6506 | Remote Similarity | NPC248705 |
0.6506 | Remote Similarity | NPC150196 |
0.6506 | Remote Similarity | NPC210849 |
0.6506 | Remote Similarity | NPC45255 |
0.6506 | Remote Similarity | NPC310758 |
0.6506 | Remote Similarity | NPC238023 |
0.65 | Remote Similarity | NPC149436 |
0.6484 | Remote Similarity | NPC302129 |
0.6471 | Remote Similarity | NPC32312 |
0.6471 | Remote Similarity | NPC155172 |
0.6471 | Remote Similarity | NPC198023 |
0.6437 | Remote Similarity | NPC22760 |
0.642 | Remote Similarity | NPC269586 |
0.6395 | Remote Similarity | NPC178527 |
0.6386 | Remote Similarity | NPC147062 |
0.6383 | Remote Similarity | NPC50063 |
0.6383 | Remote Similarity | NPC315216 |
0.6364 | Remote Similarity | NPC297358 |
0.6353 | Remote Similarity | NPC45756 |
0.6344 | Remote Similarity | NPC299367 |
0.6333 | Remote Similarity | NPC54269 |
0.6322 | Remote Similarity | NPC6107 |
0.6296 | Remote Similarity | NPC277704 |
0.6292 | Remote Similarity | NPC470795 |
0.6277 | Remote Similarity | NPC159661 |
0.6265 | Remote Similarity | NPC8235 |
0.6265 | Remote Similarity | NPC64270 |
0.6222 | Remote Similarity | NPC470796 |
0.6207 | Remote Similarity | NPC113837 |
0.6207 | Remote Similarity | NPC289915 |
0.619 | Remote Similarity | NPC169110 |
0.6154 | Remote Similarity | NPC244738 |
0.6095 | Remote Similarity | NPC175376 |
0.6064 | Remote Similarity | NPC9796 |
0.6064 | Remote Similarity | NPC249018 |
0.6064 | Remote Similarity | NPC3190 |
0.602 | Remote Similarity | NPC125549 |
0.602 | Remote Similarity | NPC472169 |
0.5977 | Remote Similarity | NPC50266 |
0.5963 | Remote Similarity | NPC173019 |
0.5963 | Remote Similarity | NPC24122 |
0.5963 | Remote Similarity | NPC472171 |
0.5952 | Remote Similarity | NPC469807 |
0.5938 | Remote Similarity | NPC272260 |
0.5909 | Remote Similarity | NPC472172 |
0.5889 | Remote Similarity | NPC181786 |
0.5876 | Remote Similarity | NPC184030 |
0.5876 | Remote Similarity | NPC164449 |
0.5876 | Remote Similarity | NPC95868 |
0.5859 | Remote Similarity | NPC307163 |
0.5825 | Remote Similarity | NPC2751 |
0.5825 | Remote Similarity | NPC113307 |
0.5824 | Remote Similarity | NPC200936 |
0.5816 | Remote Similarity | NPC471376 |
0.5816 | Remote Similarity | NPC12936 |
0.5816 | Remote Similarity | NPC273033 |
0.5814 | Remote Similarity | NPC147578 |
0.58 | Remote Similarity | NPC95429 |
0.58 | Remote Similarity | NPC133162 |
0.58 | Remote Similarity | NPC470794 |
0.5789 | Remote Similarity | NPC110264 |
0.5773 | Remote Similarity | NPC139901 |
0.5773 | Remote Similarity | NPC151405 |
0.5769 | Remote Similarity | NPC166487 |
0.5761 | Remote Similarity | NPC229235 |
0.5758 | Remote Similarity | NPC73637 |
0.5758 | Remote Similarity | NPC121478 |
0.5755 | Remote Similarity | NPC300455 |
0.5747 | Remote Similarity | NPC200624 |
0.5745 | Remote Similarity | NPC299134 |
0.5729 | Remote Similarity | NPC298023 |
0.5729 | Remote Similarity | NPC179726 |
0.5714 | Remote Similarity | NPC78954 |
0.5714 | Remote Similarity | NPC311343 |
0.5714 | Remote Similarity | NPC71664 |
0.5714 | Remote Similarity | NPC82770 |
0.5714 | Remote Similarity | NPC239931 |
0.5714 | Remote Similarity | NPC472170 |
0.5714 | Remote Similarity | NPC477703 |
0.57 | Remote Similarity | NPC273758 |
0.57 | Remote Similarity | NPC119677 |
0.57 | Remote Similarity | NPC471895 |
0.5699 | Remote Similarity | NPC208302 |
0.5699 | Remote Similarity | NPC74458 |
0.5684 | Remote Similarity | NPC276699 |
0.5684 | Remote Similarity | NPC189371 |
0.5673 | Remote Similarity | NPC199567 |
0.5673 | Remote Similarity | NPC325709 |
0.5673 | Remote Similarity | NPC418308 |
0.5673 | Remote Similarity | NPC176858 |
0.567 | Remote Similarity | NPC224544 |
0.567 | Remote Similarity | NPC103488 |
0.5657 | Remote Similarity | NPC231986 |
0.5652 | Remote Similarity | NPC235059 |
0.5652 | Remote Similarity | NPC98880 |
0.5652 | Remote Similarity | NPC16190 |
0.5652 | Remote Similarity | NPC169222 |
0.5638 | Remote Similarity | NPC285679 |
0.5638 | Remote Similarity | NPC271437 |
0.5636 | Remote Similarity | NPC275104 |
0.5634 | Remote Similarity | NPC85059 |
0.5619 | Remote Similarity | NPC277277 |
0.5619 | Remote Similarity | NPC191444 |
0.56 | Remote Similarity | NPC283012 |
0.56 | Remote Similarity | NPC475199 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC148231 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 |
---|---|---|---|
0.7573 | Intermediate Similarity | NPD2298 | Clinical (unspecified phase) |
0.7375 | Intermediate Similarity | NPD675 | Discontinued |
0.7282 | Intermediate Similarity | NPD3459 | Approved |
0.7245 | Intermediate Similarity | NPD3458 | Approved |
0.7245 | Intermediate Similarity | NPD3457 | Approved |
0.7245 | Intermediate Similarity | NPD3456 | Approved |
0.7115 | Intermediate Similarity | NPD9702 | Discontinued |
0.7083 | Intermediate Similarity | NPD4728 | Approved |
0.7083 | Intermediate Similarity | NPD2811 | Clinical (unspecified phase) |
0.703 | Intermediate Similarity | NPD4008 | Approved |
0.703 | Intermediate Similarity | NPD4007 | Approved |
0.6881 | Remote Similarity | NPD1279 | Clinical (unspecified phase) |
0.6818 | Remote Similarity | NPD1280 | Clinical (unspecified phase) |
0.6814 | Remote Similarity | NPD430 | Discontinued |
0.6762 | Remote Similarity | NPD2980 | Phase 2 |
0.6759 | Remote Similarity | NPD5278 | Discontinued |
0.6733 | Remote Similarity | NPD3832 | Clinical (unspecified phase) |
0.6702 | Remote Similarity | NPD423 | Phase 3 |
0.6635 | Remote Similarity | NPD6354 | Discontinued |
0.6542 | Remote Similarity | NPD2834 | Approved |
0.6542 | Remote Similarity | NPD2833 | Approved |
0.6522 | Remote Similarity | NPD483 | Approved |
0.6514 | Remote Similarity | NPD2242 | Phase 1 |
0.6505 | Remote Similarity | NPD1672 | Phase 2 |
0.6465 | Remote Similarity | NPD1629 | Approved |
0.6465 | Remote Similarity | NPD1628 | Approved |
0.646 | Remote Similarity | NPD1246 | Approved |
0.6429 | Remote Similarity | NPD1267 | Approved |
0.6429 | Remote Similarity | NPD1265 | Approved |
0.6415 | Remote Similarity | NPD4321 | Approved |
0.6408 | Remote Similarity | NPD3093 | Approved |
0.6404 | Remote Similarity | NPD1944 | Phase 2 |
0.6364 | Remote Similarity | NPD1673 | Approved |
0.6333 | Remote Similarity | NPD1266 | Clinical (unspecified phase) |
0.6327 | Remote Similarity | NPD1697 | Approved |
0.6325 | Remote Similarity | NPD1245 | Approved |
0.6325 | Remote Similarity | NPD3466 | Discontinued |
0.632 | Remote Similarity | NPD4404 | Approved |
0.6303 | Remote Similarity | NPD2389 | Approved |
0.625 | Remote Similarity | NPD3355 | Approved |
0.625 | Remote Similarity | NPD3356 | Approved |
0.6226 | Remote Similarity | NPD1796 | Phase 3 |
0.6207 | Remote Similarity | NPD3907 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD4680 | Discontinued |
0.6168 | Remote Similarity | NPD1795 | Discontinued |
0.6154 | Remote Similarity | NPD9728 | Phase 1 |
0.614 | Remote Similarity | NPD5662 | Approved |
0.614 | Remote Similarity | NPD5661 | Approved |
0.6129 | Remote Similarity | NPD2158 | Clinical (unspecified phase) |
0.6116 | Remote Similarity | NPD1877 | Discontinued |
0.6105 | Remote Similarity | NPD1475 | Approved |
0.6092 | Remote Similarity | NPD173 | Clinical (unspecified phase) |
0.6055 | Remote Similarity | NPD1387 | Phase 1 |
0.6042 | Remote Similarity | NPD914 | Suspended |
0.6042 | Remote Similarity | NPD3981 | Approved |
0.6042 | Remote Similarity | NPD1617 | Discontinued |
0.6042 | Remote Similarity | NPD3903 | Approved |
0.6042 | Remote Similarity | NPD3904 | Approved |
0.6042 | Remote Similarity | NPD3979 | Approved |
0.6019 | Remote Similarity | NPD1007 | Discontinued |
0.6 | Remote Similarity | NPD41 | Approved |
0.6 | Remote Similarity | NPD9497 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5886 | Approved |
0.5984 | Remote Similarity | NPD5702 | Clinical (unspecified phase) |
0.5979 | Remote Similarity | NPD3035 | Approved |
0.5963 | Remote Similarity | NPD1386 | Phase 1 |
0.596 | Remote Similarity | NPD5178 | Approved |
0.5943 | Remote Similarity | NPD5206 | Clinical (unspecified phase) |
0.5932 | Remote Similarity | NPD4660 | Discontinued |
0.5932 | Remote Similarity | NPD5550 | Approved |
0.5932 | Remote Similarity | NPD5549 | Approved |
0.5918 | Remote Similarity | NPD4701 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD4170 | Approved |
0.5918 | Remote Similarity | NPD4169 | Approved |
0.5909 | Remote Similarity | NPD793 | Approved |
0.5897 | Remote Similarity | NPD4674 | Clinical (unspecified phase) |
0.5895 | Remote Similarity | NPD4147 | Approved |
0.5895 | Remote Similarity | NPD4144 | Approved |
0.5876 | Remote Similarity | NPD1507 | Clinical (unspecified phase) |
0.587 | Remote Similarity | NPD294 | Approved |
0.587 | Remote Similarity | NPD292 | Approved |
0.5868 | Remote Similarity | NPD2345 | Approved |
0.5859 | Remote Similarity | NPD4635 | Approved |
0.5859 | Remote Similarity | NPD1185 | Approved |
0.5859 | Remote Similarity | NPD2001 | Discontinued |
0.5846 | Remote Similarity | NPD2202 | Clinical (unspecified phase) |
0.5816 | Remote Similarity | NPD4027 | Approved |
0.5816 | Remote Similarity | NPD4026 | Approved |
0.5816 | Remote Similarity | NPD942 | Approved |
0.58 | Remote Similarity | NPD3429 | Approved |
0.58 | Remote Similarity | NPD3427 | Approved |
0.58 | Remote Similarity | NPD4544 | Approved |
0.5789 | Remote Similarity | NPD7137 | Phase 2 |
0.5769 | Remote Similarity | NPD1588 | Clinical (unspecified phase) |
0.5766 | Remote Similarity | NPD744 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD5589 | Approved |
0.5714 | Remote Similarity | NPD260 | Discontinued |
0.5714 | Remote Similarity | NPD4100 | Approved |
0.5714 | Remote Similarity | NPD4099 | Approved |
0.57 | Remote Similarity | NPD5288 | Clinical (unspecified phase) |
0.5691 | Remote Similarity | NPD5056 | Approved |
0.5691 | Remote Similarity | NPD5057 | Phase 3 |
0.5686 | Remote Similarity | NPD4409 | Approved |
0.5686 | Remote Similarity | NPD4636 | Approved |
0.5686 | Remote Similarity | NPD4406 | Approved |
0.567 | Remote Similarity | NPD9563 | Approved |
0.567 | Remote Similarity | NPD9564 | Approved |
0.567 | Remote Similarity | NPD79 | Approved |
0.5667 | Remote Similarity | NPD3797 | Approved |
0.566 | Remote Similarity | NPD4405 | Approved |
0.566 | Remote Similarity | NPD4407 | Approved |
0.566 | Remote Similarity | NPD4408 | Approved |
0.5641 | Remote Similarity | NPD4991 | Discontinued |
0.5636 | Remote Similarity | NPD4737 | Phase 2 |
0.5631 | Remote Similarity | NPD3426 | Approved |
0.5631 | Remote Similarity | NPD2002 | Discontinued |
0.5631 | Remote Similarity | NPD3428 | Approved |
0.5631 | Remote Similarity | NPD4146 | Approved |
0.5631 | Remote Similarity | NPD4145 | Approved |
0.562 | Remote Similarity | NPD6360 | Discontinued |
0.5619 | Remote Similarity | NPD5915 | Approved |
0.5619 | Remote Similarity | NPD3346 | Approved |
0.5619 | Remote Similarity | NPD3344 | Approved |
PubChem CID   | 3023 |
ChEMBL   | CHEMBL219828 |
ZINC   |
Molecular Weight:   | 184.03 |
ALogP:   | 0.5906 |
MLogP:   | 2.67 |
XLogP:   | 4.605 |
# Rotatable Bonds:   | 0 |
Polar Surface Area:   | 28.24 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 3 |
# Heavy Atoms:   | 13 |