Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | HerDing* | |||
NPO8321 | Allium chinense | Species | Amaryllidaceae | Eukaryota | TCM_Taiwan* | |||
NPO10434 | Rhodospirillum rubrum | Species | Rhodospirillaceae | Bacteria | UNPD* | |||
NPO8146 | Aniba megaphylla | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO1625 | Ovibos moschatus | Species | Bovidae | Eukaryota | UNPD* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | UNPD* | |||
NPO9952 | Isoplexis sceptrum | Species | Plantaginaceae | Eukaryota | UNPD* | |||
NPO4177 | Libocedrus decurrens | Species | Cupressaceae | Eukaryota | UNPD* | |||
NPO11481 | Elephantopus angustifolius | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO7565 | Allium azureum ledeb | Species | Amaryllidaceae | Eukaryota | TCMSP* | |||
NPO24940 | Allii sativi bulbus | NA | NA | NA | TCMSP* | |||
NPO8321 | Allium chinense | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO4520 | Allium macrostemon | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO2055 | Berberis integerrima | Species | Berberidaceae | Eukaryota | UNPD* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TCMID* | |||
NPO3186 | Loranthus parasiticus | Species | Loranthaceae | Eukaryota | UNPD* | |||
NPO8817 | Herbertus sakuraii | Species | Herbertaceae | Eukaryota | UNPD* | |||
NPO13017 | Sarcocephalus latifolius | Species | Rubiaceae | Eukaryota | UNPD* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TCM_Taiwan* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT346 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Homo sapiens | EC50 | = | 490 | nM | 20356305 |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT151 | Individual Protein | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Homo sapiens | Potency | = | 28183.8 | nM | PubChem BioAssay data set |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT443 | Individual Protein | Histone acetyltransferase GCN5 | Homo sapiens | Potency | 22387.2 | nM | PubChem BioAssay data set | |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | 25118.9 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 5.1 | nM | PubChem BioAssay data set | ||
NPT3141 | Individual Protein | Fatty acid synthase | Gallus gallus | IC50 | = | 8370 | nM | 21726077 |
NPT616 | Cell Line | MDCK | Canis lupus familiaris | Activity | = | 33.1 | % | 23163425 |
NPT616 | Cell Line | MDCK | Canis lupus familiaris | Activity | = | 38.6 | % | 23163425 |
NPT616 | Cell Line | MDCK | Canis lupus familiaris | Activity | = | 34.6 | % | 23163425 |
NPT616 | Cell Line | MDCK | Canis lupus familiaris | Activity | = | 26.8 | % | 23163425 |
NPT616 | Cell Line | MDCK | Canis lupus familiaris | IC50 | = | 50000 | nM | 23163425 |
NPT2 | Others | Unspecified | Potency | 29849.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 9439.2 | nM | PubChem BioAssay data set | ||
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | 100000 | 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 NPC220140 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 | NPC184203 |
0.9524 | High Similarity | NPC142438 |
0.8333 | Intermediate Similarity | NPC2088 |
0.8261 | Intermediate Similarity | NPC156018 |
0.8 | Intermediate Similarity | NPC46648 |
0.7143 | Intermediate Similarity | NPC204251 |
0.7143 | Intermediate Similarity | NPC168614 |
0.6364 | Remote Similarity | NPC239277 |
0.6087 | Remote Similarity | NPC33192 |
0.6087 | Remote Similarity | NPC254529 |
0.6061 | Remote Similarity | NPC277288 |
0.5833 | Remote Similarity | NPC476549 |
0.5833 | Remote Similarity | NPC225855 |
0.56 | Remote Similarity | NPC178306 |
0.56 | Remote Similarity | NPC476548 |
0.56 | Remote Similarity | NPC326758 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC220140 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 |
---|---|---|---|
NPD |
PubChem CID   | 16315 |
ChEMBL   | CHEMBL123040 |
ZINC   |
Molecular Weight:   | 177.99 |
ALogP:   | 3.21 |
MLogP:   | 1.79 |
XLogP:   | 2.521 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 75.9 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 9 |