Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[19403942] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[24023812] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[24029555] |
||
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | TCM_Taiwan* | |||
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | TCM_Taiwan* | |||
NPO26721 | Apium graveolens | Species | Apiaceae | Eukaryota | TCM_Taiwan* | |||
NPO29553 | Hordei fructus germinatus | NA | NA | NA | TCMSP* | |||
NPO298 | Isatdis radix | NA | NA | NA | TCMSP* | |||
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | TCMSP* | |||
NPO19707 | Gynostemmae pentaphylli herba | NA | NA | NA | TCMSP* | |||
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO29463 | Pogostemon cablin | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO28169 | Aleurites cordata | Species | Euphorbiaceae | Eukaryota | TCMID* | |||
NPO26721 | Apium graveolens | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO12934 | Gynostemma pentaphyllum | Species | Cucurbitaceae | Eukaryota | TCMID* | |||
NPO993 | Phaseolus coccineus | Species | Fabaceae | Eukaryota | TCMID* | |||
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | TCMID* | |||
NPO87 | Alchornea trewioides | Species | Euphorbiaceae | Eukaryota | TCMID* | |||
NPO26880 | Mallotus japonicus | Species | Euphorbiaceae | Eukaryota | TCMID* | |||
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | TCMID* | |||
NPO16506 | Synotis alata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO4305 | Pertusaria wulfenii | Species | Pertusariaceae | Eukaryota | UNPD* | |||
NPO12934 | Gynostemma pentaphyllum | Species | Cucurbitaceae | Eukaryota | UNPD* | |||
NPO11990 | Coleostephus myconis | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO918 | Dahlia pinnata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO12934 | Gynostemma pentaphyllum | Species | Cucurbitaceae | Eukaryota | TCM_Taiwan* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva | DOI[10.1007/s11306-012-0464-y] | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | DOI[10.1038/nbt.2488] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT36 | Individual Protein | Tyrosine-protein kinase SRC | Homo sapiens | IC50 | > | 40000000 | nM | 14613321 |
NPT643 | Individual Protein | Serine racemase | Mus musculus | Ki | = | 71000 | nM | 19791805 |
NPT644 | Individual Protein | L-lactate dehydrogenase A chain | Homo sapiens | Kd | = | 5000000 | nM | 22417091 |
NPT646 | Individual Protein | Serine racemase | Homo sapiens | IC50 | = | 24900 | nM | 23391306 |
NPT647 | Individual Protein | D-aspartate oxidase | Homo sapiens | IC50 | = | 1355000 | nM | 23391306 |
NPT645 | Individual Protein | D-amino-acid oxidase | Homo sapiens | IC50 | > | 10000000 | nM | 23391306 |
NPT2 | Others | Unspecified | Potency | 56234.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 43753.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 386.5 | nM | PubChem BioAssay data set | ||
NPT643 | Individual Protein | Serine racemase | Mus musculus | Ki | = | 27000 | nM | 25462239 |
NPT643 | Individual Protein | Serine racemase | Mus musculus | IC50 | = | 67000 | nM | 25462239 |
NPT646 | Individual Protein | Serine racemase | Homo sapiens | Inhibition | = | 59 | % | 25066953 |
NPT646 | Individual Protein | Serine racemase | Homo sapiens | IC50 | = | 1310000 | nM | 25066953 |
NPT646 | Individual Protein | Serine racemase | Homo sapiens | Ki | = | 33000 | nM | 25066953 |
NPT2 | Others | Unspecified | Potency | 61803.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 490.9 | nM | PubChem BioAssay data set | ||
NPT163 | Individual Protein | Nuclear factor NF-kappa-B p105 subunit | Homo sapiens | Potency | 9795.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 54593.5 | nM | PubChem BioAssay data set | ||
NPT646 | Individual Protein | Serine racemase | Homo sapiens | Ki | = | 59000 | nM | 26283510 |
NPT646 | Individual Protein | Serine racemase | Homo sapiens | Ki | = | 66000 | nM | 26283510 |
NPT646 | Individual Protein | Serine racemase | Homo sapiens | Inhibition | = | 76 | % | 26283510 |
NPT648 | Individual Protein | D-aspartate oxidase | Mus musculus | Ki | = | 1220000 | nM | 26322531 |
NPT649 | Individual Protein | D-aspartate oxidase | Rattus norvegicus | Ki | = | 1562000 | nM | 26322531 |
NPT647 | Individual Protein | D-aspartate oxidase | Homo sapiens | Ki | = | 153000 | nM | 26322531 |
NPT645 | Individual Protein | D-amino-acid oxidase | Homo sapiens | IC50 | > | 10000000 | nM | 26322531 |
NPT647 | Individual Protein | D-aspartate oxidase | Homo sapiens | IC50 | = | 879000 | nM | 26322531 |
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 NPC3343 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 |
---|---|---|
0.8571 | High Similarity | NPC241404 |
0.8276 | Intermediate Similarity | NPC328569 |
0.76 | Intermediate Similarity | NPC181153 |
0.7333 | Intermediate Similarity | NPC320981 |
0.7273 | Intermediate Similarity | NPC159089 |
0.7241 | Intermediate Similarity | NPC55956 |
0.6774 | Remote Similarity | NPC265882 |
0.6765 | Remote Similarity | NPC1037 |
0.6667 | Remote Similarity | NPC236709 |
0.6552 | Remote Similarity | NPC230726 |
0.6552 | Remote Similarity | NPC286233 |
0.6552 | Remote Similarity | NPC314668 |
0.6552 | Remote Similarity | NPC149209 |
0.6471 | Remote Similarity | NPC191084 |
0.6471 | Remote Similarity | NPC250870 |
0.6471 | Remote Similarity | NPC168052 |
0.64 | Remote Similarity | NPC68873 |
0.6333 | Remote Similarity | NPC320704 |
0.625 | Remote Similarity | NPC16947 |
0.5938 | Remote Similarity | NPC122768 |
0.5938 | Remote Similarity | NPC61066 |
0.5938 | Remote Similarity | NPC151140 |
0.5938 | Remote Similarity | NPC174368 |
0.5938 | Remote Similarity | NPC292641 |
0.5938 | Remote Similarity | NPC104195 |
0.5897 | Remote Similarity | NPC24751 |
0.5897 | Remote Similarity | NPC97444 |
0.5897 | Remote Similarity | NPC100742 |
0.5897 | Remote Similarity | NPC121018 |
0.5897 | Remote Similarity | NPC325307 |
0.5897 | Remote Similarity | NPC322956 |
0.5897 | Remote Similarity | NPC192402 |
0.5897 | Remote Similarity | NPC35661 |
0.5897 | Remote Similarity | NPC19044 |
0.5882 | Remote Similarity | NPC125575 |
0.5882 | Remote Similarity | NPC18224 |
0.5882 | Remote Similarity | NPC328710 |
0.5769 | Remote Similarity | NPC7922 |
0.5769 | Remote Similarity | NPC283245 |
0.5758 | Remote Similarity | NPC198126 |
0.5758 | Remote Similarity | NPC302611 |
0.575 | Remote Similarity | NPC310220 |
0.575 | Remote Similarity | NPC107645 |
0.5676 | Remote Similarity | NPC317945 |
0.561 | Remote Similarity | NPC320624 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC3343 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 |
---|---|---|---|
0.8333 | Intermediate Similarity | NPD8191 | Clinical (unspecified phase) |
0.76 | Intermediate Similarity | NPD8201 | Phase 2 |
0.7333 | Intermediate Similarity | NPD8590 | Approved |
0.6667 | Remote Similarity | NPD8593 | Approved |
0.6667 | Remote Similarity | NPD8594 | Approved |
0.6552 | Remote Similarity | NPD8189 | Approved |
0.64 | Remote Similarity | NPD7364 | Approved |
0.64 | Remote Similarity | NPD8200 | Phase 2 |
0.6333 | Remote Similarity | NPD106 | Approved |
0.6316 | Remote Similarity | NPD9116 | Phase 1 |
0.6207 | Remote Similarity | NPD8188 | Approved |
0.5938 | Remote Similarity | NPD8619 | Approved |
0.5938 | Remote Similarity | NPD8617 | Approved |
0.5897 | Remote Similarity | NPD8603 | Approved |
0.5897 | Remote Similarity | NPD8605 | Approved |
0.5897 | Remote Similarity | NPD8604 | Approved |
0.5897 | Remote Similarity | NPD8601 | Approved |
0.5897 | Remote Similarity | NPD8600 | Approved |
0.5897 | Remote Similarity | NPD8602 | Approved |
0.5897 | Remote Similarity | NPD8598 | Approved |
0.5897 | Remote Similarity | NPD8599 | Approved |
0.5758 | Remote Similarity | NPD8618 | Approved |
0.5714 | Remote Similarity | NPD8616 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD8615 | Phase 2 |
0.5676 | Remote Similarity | NPD9111 | Approved |
0.5676 | Remote Similarity | NPD9113 | Discontinued |
0.5676 | Remote Similarity | NPD9117 | Approved |
0.5667 | Remote Similarity | NPD8591 | Approved |
0.5667 | Remote Similarity | NPD8592 | Approved |
PubChem CID   | 867;23511544 |
ChEMBL   | CHEMBL7942 |
ZINC   |
Molecular Weight:   | 104.01 |
ALogP:   | -0.4448 |
MLogP:   | 1.35 |
XLogP:   | -0.299 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 74.6 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |