Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO730 | Escherichia coli | Species | Enterobacteriaceae | Bacteria |
PMID[21988831] |
|||
NPO2997 | Aloe africana | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* | |||
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* | |||
NPO14763 | Aloe ferox | Species | Asphodelaceae | Eukaryota | TM-MC* | |||
NPO2837 | Aloe spicata | Species | Asphodelaceae | Eukaryota | TM-MC* | |||
NPO25223 | Gekko | Species | Gekkonidae | Eukaryota | TCMID* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota |
PMID[4200890] |
|||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[24023812] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[10577998] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[14637266] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cytoplasm |
PMID[15882454] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[11978879] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO31567 | Gecko | Genus | Gekkonidae | Eukaryota | HerDing* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT4948 | Individual Protein | Glutathione S-transferase kappa 1 | Homo sapiens | IC50 | = | 20 | nM | 9632361 |
NPT1566 | Individual Protein | Glyoxalase I | Homo sapiens | Ki | = | 1.05E+12 | nM | 3290487 |
NPT2 | Others | Unspecified | Activity | = | 70 | % | 18065232 | |
NPT2 | Others | Unspecified | Activity | = | 35.6 | % | 18207412 | |
NPT1594 | Individual Protein | Multidrug resistance-associated protein 1 | Homo sapiens | Inhibition | = | 10 | % | 17646169 |
NPT612 | Individual Protein | Canalicular multispecific organic anion transporter 1 | Homo sapiens | Activity | = | 116 | % | 18457386 |
NPT2 | Others | Unspecified | Activity | = | 0.62 | 18819812 | ||
NPT2 | Others | Unspecified | Activity | = | 5.6 | 18819812 | ||
NPT2 | Others | Unspecified | Activity | = | 36 | % | 18926709 | |
NPT2 | Others | Unspecified | Activity | = | 31 | % | 18926709 | |
NPT2 | Others | Unspecified | Activity | = | 55 | % | 18926709 | |
NPT1 | Others | Radical scavenging activity | Activity | = | 76 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 81.3 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 83.2 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 84.2 | % | 18926709 | |
NPT35 | Others | n.a. | Activity | = | 85.4 | % | 18926709 | |
NPT1 | Others | Radical scavenging activity | IC50 | = | 96000 | nM | 19502068 | |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | IZ | = | 0 | mm | 19564371 |
NPT4949 | Individual Protein | Lysozyme C | Gallus gallus | Activity | = | 87 | % | 22197395 |
NPT4949 | Individual Protein | Lysozyme C | Gallus gallus | Activity | = | 0.01 | /min | 22197395 |
NPT4949 | Individual Protein | Lysozyme C | Gallus gallus | Activity | = | 0.05 | /min | 22197395 |
NPT4949 | Individual Protein | Lysozyme C | Gallus gallus | Activity | = | 44 | % | 22197395 |
NPT4949 | Individual Protein | Lysozyme C | Gallus gallus | Activity | = | 73 | % | 22197395 |
NPT4949 | Individual Protein | Lysozyme C | Gallus gallus | Activity | = | 0.001 | /min | 22197395 |
NPT4949 | Individual Protein | Lysozyme C | Gallus gallus | Activity | = | 0.003 | /min | 22197395 |
NPT612 | Individual Protein | Canalicular multispecific organic anion transporter 1 | Homo sapiens | Activity | = | 51 | % | 10024515 |
NPT2 | Others | Unspecified | IC50 | > | 20000000 | nM | 21657271 | |
NPT2 | Others | Unspecified | Activity | = | 0.595 | ug/ml | 10.1007/s00044-012-0304-7 | |
NPT1 | Others | Radical scavenging activity | Activity | = | 92.09 | % | 10.1007/s00044-012-0304-7 | |
NPT2 | Others | Unspecified | Potency | 29855.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Activity | = | 92.09 | % | 10.1007/s00044-013-0835-6 | |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 87.82 | % | 23571415 |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 67.16 | % | 23571415 |
NPT2 | Others | Unspecified | Ratio | = | 15.1 | 24507926 | ||
NPT2 | Others | Unspecified | Ratio | = | 10440 | 24507926 | ||
NPT2 | Others | Unspecified | Ratio | = | 0.142 | 24507926 | ||
NPT2 | Others | Unspecified | Ratio | = | 4.09 | 24507926 | ||
NPT35 | Others | n.a. | Ratio | = | 121 | 24507926 | ||
NPT2 | Others | Unspecified | Ratio | = | 23.3 | 24507926 | ||
NPT2 | Others | Unspecified | Ratio | = | 1.59 | 24507926 | ||
NPT2 | Others | Unspecified | Potency | 10000 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 3981.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 16353.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 19952.6 | nM | PubChem BioAssay data set | ||
NPT65 | Cell Line | HepG2 | Homo sapiens | Activity | = | 2.1 | % | 26894841 |
NPT65 | Cell Line | HepG2 | Homo sapiens | Activity | = | 5.5 | % | 26894841 |
NPT65 | Cell Line | HepG2 | Homo sapiens | Activity | = | 2.5 | % | 26894841 |
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 NPC174304 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 | NPC325597 |
0.9831 | High Similarity | NPC289691 |
0.9206 | High Similarity | NPC319046 |
0.9062 | High Similarity | NPC126779 |
0.8833 | High Similarity | NPC321536 |
0.8689 | High Similarity | NPC143722 |
0.8644 | High Similarity | NPC325985 |
0.8333 | Intermediate Similarity | NPC38463 |
0.8167 | Intermediate Similarity | NPC322573 |
0.8136 | Intermediate Similarity | NPC197087 |
0.8136 | Intermediate Similarity | NPC190184 |
0.8116 | Intermediate Similarity | NPC315897 |
0.7812 | Intermediate Similarity | NPC321419 |
0.7797 | Intermediate Similarity | NPC319175 |
0.7656 | Intermediate Similarity | NPC317143 |
0.7656 | Intermediate Similarity | NPC327748 |
0.7656 | Intermediate Similarity | NPC254541 |
0.7656 | Intermediate Similarity | NPC320598 |
0.7656 | Intermediate Similarity | NPC316826 |
0.7656 | Intermediate Similarity | NPC321468 |
0.7538 | Intermediate Similarity | NPC327170 |
0.7538 | Intermediate Similarity | NPC329564 |
0.75 | Intermediate Similarity | NPC189301 |
0.75 | Intermediate Similarity | NPC125736 |
0.75 | Intermediate Similarity | NPC176164 |
0.7344 | Intermediate Similarity | NPC318260 |
0.7344 | Intermediate Similarity | NPC317147 |
0.7313 | Intermediate Similarity | NPC327252 |
0.7258 | Intermediate Similarity | NPC263065 |
0.7258 | Intermediate Similarity | NPC189178 |
0.7213 | Intermediate Similarity | NPC137958 |
0.7213 | Intermediate Similarity | NPC273330 |
0.7143 | Intermediate Similarity | NPC321118 |
0.7143 | Intermediate Similarity | NPC316889 |
0.7119 | Intermediate Similarity | NPC136476 |
0.7119 | Intermediate Similarity | NPC49952 |
0.7097 | Intermediate Similarity | NPC19576 |
0.7097 | Intermediate Similarity | NPC29950 |
0.7031 | Intermediate Similarity | NPC327831 |
0.6935 | Remote Similarity | NPC327239 |
0.6901 | Remote Similarity | NPC118524 |
0.6833 | Remote Similarity | NPC185755 |
0.6833 | Remote Similarity | NPC297220 |
0.6833 | Remote Similarity | NPC306238 |
0.6833 | Remote Similarity | NPC248970 |
0.6833 | Remote Similarity | NPC213876 |
0.6769 | Remote Similarity | NPC2801 |
0.6667 | Remote Similarity | NPC118459 |
0.6667 | Remote Similarity | NPC327698 |
0.6613 | Remote Similarity | NPC140872 |
0.6613 | Remote Similarity | NPC153370 |
0.6613 | Remote Similarity | NPC93081 |
0.6567 | Remote Similarity | NPC278209 |
0.6562 | Remote Similarity | NPC322946 |
0.6533 | Remote Similarity | NPC328457 |
0.6528 | Remote Similarity | NPC325534 |
0.6508 | Remote Similarity | NPC193989 |
0.6508 | Remote Similarity | NPC170739 |
0.6508 | Remote Similarity | NPC112890 |
0.6508 | Remote Similarity | NPC152451 |
0.6508 | Remote Similarity | NPC316231 |
0.6508 | Remote Similarity | NPC324825 |
0.6508 | Remote Similarity | NPC328378 |
0.6462 | Remote Similarity | NPC329495 |
0.6441 | Remote Similarity | NPC317691 |
0.6441 | Remote Similarity | NPC326808 |
0.6441 | Remote Similarity | NPC110533 |
0.6441 | Remote Similarity | NPC254482 |
0.6406 | Remote Similarity | NPC114990 |
0.6393 | Remote Similarity | NPC329263 |
0.6301 | Remote Similarity | NPC470108 |
0.6286 | Remote Similarity | NPC68974 |
0.6269 | Remote Similarity | NPC102815 |
0.6267 | Remote Similarity | NPC472579 |
0.625 | Remote Similarity | NPC43204 |
0.625 | Remote Similarity | NPC315744 |
0.625 | Remote Similarity | NPC84636 |
0.625 | Remote Similarity | NPC62045 |
0.625 | Remote Similarity | NPC226027 |
0.625 | Remote Similarity | NPC174246 |
0.625 | Remote Similarity | NPC245027 |
0.625 | Remote Similarity | NPC162620 |
0.6216 | Remote Similarity | NPC470109 |
0.6212 | Remote Similarity | NPC317815 |
0.6207 | Remote Similarity | NPC193386 |
0.619 | Remote Similarity | NPC204364 |
0.6154 | Remote Similarity | NPC476248 |
0.6133 | Remote Similarity | NPC470110 |
0.6125 | Remote Similarity | NPC59867 |
0.6119 | Remote Similarity | NPC183845 |
0.6119 | Remote Similarity | NPC279661 |
0.6105 | Remote Similarity | NPC72401 |
0.6105 | Remote Similarity | NPC325339 |
0.6056 | Remote Similarity | NPC177191 |
0.6032 | Remote Similarity | NPC228932 |
0.6032 | Remote Similarity | NPC198196 |
0.6027 | Remote Similarity | NPC106216 |
0.6027 | Remote Similarity | NPC88898 |
0.6026 | Remote Similarity | NPC55274 |
0.6 | Remote Similarity | NPC121517 |
0.6 | Remote Similarity | NPC168375 |
0.6 | Remote Similarity | NPC326992 |
0.5978 | Remote Similarity | NPC117829 |
0.5972 | Remote Similarity | NPC118429 |
0.5957 | Remote Similarity | NPC132931 |
0.5952 | Remote Similarity | NPC84128 |
0.5952 | Remote Similarity | NPC53858 |
0.5946 | Remote Similarity | NPC278881 |
0.5946 | Remote Similarity | NPC50047 |
0.5938 | Remote Similarity | NPC118187 |
0.5873 | Remote Similarity | NPC191136 |
0.5854 | Remote Similarity | NPC37681 |
0.5846 | Remote Similarity | NPC227850 |
0.5846 | Remote Similarity | NPC318523 |
0.5844 | Remote Similarity | NPC133183 |
0.5833 | Remote Similarity | NPC314466 |
0.5833 | Remote Similarity | NPC475542 |
0.5811 | Remote Similarity | NPC103130 |
0.5811 | Remote Similarity | NPC226453 |
0.5811 | Remote Similarity | NPC57420 |
0.5806 | Remote Similarity | NPC167986 |
0.5806 | Remote Similarity | NPC291186 |
0.5806 | Remote Similarity | NPC276294 |
0.5789 | Remote Similarity | NPC222327 |
0.5789 | Remote Similarity | NPC188231 |
0.5775 | Remote Similarity | NPC11433 |
0.5775 | Remote Similarity | NPC245346 |
0.5775 | Remote Similarity | NPC302003 |
0.5769 | Remote Similarity | NPC478256 |
0.5763 | Remote Similarity | NPC69179 |
0.5753 | Remote Similarity | NPC477644 |
0.5714 | Remote Similarity | NPC81647 |
0.5714 | Remote Similarity | NPC323974 |
0.5714 | Remote Similarity | NPC126925 |
0.5714 | Remote Similarity | NPC325097 |
0.5714 | Remote Similarity | NPC132307 |
0.5694 | Remote Similarity | NPC268927 |
0.5694 | Remote Similarity | NPC276928 |
0.5694 | Remote Similarity | NPC64250 |
0.5692 | Remote Similarity | NPC136159 |
0.5672 | Remote Similarity | NPC319110 |
0.5672 | Remote Similarity | NPC329181 |
0.5672 | Remote Similarity | NPC50457 |
0.5667 | Remote Similarity | NPC18188 |
0.5663 | Remote Similarity | NPC191774 |
0.5663 | Remote Similarity | NPC314680 |
0.5658 | Remote Similarity | NPC327985 |
0.5652 | Remote Similarity | NPC145235 |
0.5634 | Remote Similarity | NPC283786 |
0.5632 | Remote Similarity | NPC199072 |
0.5632 | Remote Similarity | NPC145748 |
0.5632 | Remote Similarity | NPC95478 |
0.5632 | Remote Similarity | NPC155670 |
0.5625 | Remote Similarity | NPC285322 |
0.5625 | Remote Similarity | NPC208793 |
0.5604 | Remote Similarity | NPC477729 |
0.56 | Remote Similarity | NPC145658 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC174304 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 | NPD348 | Approved |
0.9355 | High Similarity | NPD886 | Clinical (unspecified phase) |
0.9206 | High Similarity | NPD4241 | Registered |
0.9206 | High Similarity | NPD337 | Discontinued |
0.9062 | High Similarity | NPD4242 | Approved |
0.8788 | High Similarity | NPD2262 | Clinical (unspecified phase) |
0.8667 | High Similarity | NPD9433 | Approved |
0.8136 | Intermediate Similarity | NPD8785 | Approved |
0.8116 | Intermediate Similarity | NPD1825 | Clinical (unspecified phase) |
0.791 | Intermediate Similarity | NPD1429 | Clinical (unspecified phase) |
0.7532 | Intermediate Similarity | NPD7643 | Phase 1 |
0.7424 | Intermediate Similarity | NPD574 | Approved |
0.7361 | Intermediate Similarity | NPD6944 | Clinical (unspecified phase) |
0.7313 | Intermediate Similarity | NPD575 | Clinical (unspecified phase) |
0.7258 | Intermediate Similarity | NPD9205 | Approved |
0.7258 | Intermediate Similarity | NPD9204 | Approved |
0.7213 | Intermediate Similarity | NPD8871 | Approved |
0.7213 | Intermediate Similarity | NPD8872 | Phase 3 |
0.7213 | Intermediate Similarity | NPD329 | Discontinued |
0.7097 | Intermediate Similarity | NPD61 | Approved |
0.7097 | Intermediate Similarity | NPD8847 | Approved |
0.7097 | Intermediate Similarity | NPD8846 | Approved |
0.6984 | Remote Similarity | NPD8851 | Phase 1 |
0.6892 | Remote Similarity | NPD1147 | Phase 2 |
0.6833 | Remote Similarity | NPD8870 | Approved |
0.6833 | Remote Similarity | NPD8982 | Approved |
0.679 | Remote Similarity | NPD3733 | Clinical (unspecified phase) |
0.6613 | Remote Similarity | NPD9214 | Phase 3 |
0.6613 | Remote Similarity | NPD8614 | Approved |
0.6613 | Remote Similarity | NPD8808 | Approved |
0.6613 | Remote Similarity | NPD8809 | Approved |
0.6613 | Remote Similarity | NPD9213 | Approved |
0.6579 | Remote Similarity | NPD366 | Approved |
0.6575 | Remote Similarity | NPD9452 | Clinical (unspecified phase) |
0.6562 | Remote Similarity | NPD9441 | Phase 2 |
0.6528 | Remote Similarity | NPD8952 | Approved |
0.6508 | Remote Similarity | NPD9021 | Approved |
0.6508 | Remote Similarity | NPD8802 | Approved |
0.6508 | Remote Similarity | NPD9044 | Approved |
0.6508 | Remote Similarity | NPD8803 | Clinical (unspecified phase) |
0.65 | Remote Similarity | NPD8869 | Approved |
0.6441 | Remote Similarity | NPD8215 | Approved |
0.6441 | Remote Similarity | NPD8214 | Approved |
0.6374 | Remote Similarity | NPD842 | Phase 3 |
0.6351 | Remote Similarity | NPD9451 | Clinical (unspecified phase) |
0.6349 | Remote Similarity | NPD8873 | Approved |
0.629 | Remote Similarity | NPD8801 | Approved |
0.625 | Remote Similarity | NPD9017 | Approved |
0.625 | Remote Similarity | NPD9018 | Approved |
0.625 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD364 | Discontinued |
0.6212 | Remote Similarity | NPD8849 | Clinical (unspecified phase) |
0.6212 | Remote Similarity | NPD9386 | Approved |
0.6212 | Remote Similarity | NPD9420 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD9577 | Approved |
0.618 | Remote Similarity | NPD1749 | Approved |
0.6145 | Remote Similarity | NPD1125 | Discovery |
0.6129 | Remote Similarity | NPD397 | Phase 2 |
0.6049 | Remote Similarity | NPD3160 | Suspended |
0.6032 | Remote Similarity | NPD9020 | Approved |
0.6 | Remote Similarity | NPD9421 | Phase 1 |
0.5972 | Remote Similarity | NPD9014 | Approved |
0.5909 | Remote Similarity | NPD9025 | Approved |
0.5873 | Remote Similarity | NPD9658 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD7760 | Phase 2 |
0.5862 | Remote Similarity | NPD7759 | Phase 2 |
0.5844 | Remote Similarity | NPD1815 | Discontinued |
0.5811 | Remote Similarity | NPD9047 | Approved |
0.5811 | Remote Similarity | NPD9046 | Phase 3 |
0.5811 | Remote Similarity | NPD9045 | Approved |
0.5811 | Remote Similarity | NPD9048 | Approved |
0.5806 | Remote Similarity | NPD8805 | Approved |
0.5806 | Remote Similarity | NPD8804 | Approved |
0.5789 | Remote Similarity | NPD9232 | Phase 2 |
0.5789 | Remote Similarity | NPD9233 | Phase 3 |
0.5789 | Remote Similarity | NPD9231 | Phase 3 |
0.5789 | Remote Similarity | NPD8842 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD2263 | Discontinued |
0.5783 | Remote Similarity | NPD4815 | Discontinued |
0.5775 | Remote Similarity | NPD8865 | Approved |
0.5714 | Remote Similarity | NPD8980 | Approved |
0.5714 | Remote Similarity | NPD8979 | Approved |
0.5714 | Remote Similarity | NPD9019 | Approved |
0.5714 | Remote Similarity | NPD5792 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD8798 | Approved |
0.5714 | Remote Similarity | NPD8981 | Clinical (unspecified phase) |
0.5699 | Remote Similarity | NPD573 | Clinical (unspecified phase) |
0.5698 | Remote Similarity | NPD4829 | Discontinued |
0.5667 | Remote Similarity | NPD8623 | Phase 1 |
0.5663 | Remote Similarity | NPD4278 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD9419 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD3724 | Clinical (unspecified phase) |
0.5632 | Remote Similarity | NPD326 | Approved |
0.5625 | Remote Similarity | NPD8610 | Approved |
0.5616 | Remote Similarity | NPD902 | Approved |
0.5606 | Remote Similarity | NPD8577 | Discontinued |
PubChem CID   | 124886;25246407 |
ChEMBL   | CHEMBL1543 |
ZINC   |
Molecular Weight:   | 307.08 |
ALogP:   | -1.6393 |
MLogP:   | 1.46 |
XLogP:   | -3.978 |
# Rotatable Bonds:   | 15 |
Polar Surface Area:   | 204.6 |
# H-Bond Aceptor:   | 9 |
# H-Bond Donor:   | 5 |
# Rings:   | 0 |
# Heavy Atoms:   | 20 |