Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO28923 | Allium fistulosum | Species | Amaryllidaceae | Eukaryota | TCM_Taiwan* | |||
NPO28923 | Allium fistulosum | Species | Amaryllidaceae | Eukaryota | HerDing* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TCM_Taiwan* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | HerDing* | |||
NPO8321 | Allium chinense | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO4520 | Allium macrostemon | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO667 | Bulbus allii fistulosi | NA | NA | NA | TCMID* | |||
NPO28923 | Allium fistulosum | Species | Amaryllidaceae | Eukaryota | TCMID* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT463 | Individual Protein | HMG-CoA reductase | Rattus norvegicus | Ratio | = | 2.07 | 15454225 | |
NPT464 | Cell Line | Daudi | Homo sapiens | IC50 | = | 35300 | nM | 18467007 |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | = | 103500 | nM | 18467007 |
NPT465 | Cell Line | NCI-N87 | Homo sapiens | IC50 | = | 16800 | nM | 18467007 |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 5500 | nM | 18467007 |
NPT466 | Cell Line | U-937 | Homo sapiens | IC50 | = | 19700 | nM | 18467007 |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | = | 83800 | nM | 18467007 |
NPT2 | Others | Unspecified | IC50 | = | 20 | nM | 18467007 | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 2.15 | mg/dl | 18595719 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 42.69 | mg/dl | 18595719 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 20.34 | mg/dl | 18595719 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 36.86 | mg/dl | 18595719 |
NPT467 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Mus musculus | EC50 | = | 1320 | nM | 20356305 |
NPT346 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Homo sapiens | EC50 | = | 1910 | nM | 20356305 |
NPT468 | Individual Protein | Vanilloid receptor | Rattus norvegicus | EC50 | = | 51220 | nM | 20356305 |
NPT214 | Individual Protein | Cathepsin B | Homo sapiens | Ki | = | 8600 | nM | 20692829 |
NPT469 | Individual Protein | Cathepsin L | Homo sapiens | Ki | = | 9300 | nM | 20692829 |
NPT2 | Others | Unspecified | Ki | = | 1040 | nM | 20692829 | |
NPT470 | Individual Protein | Rhodesain | Trypanosoma brucei rhodesiense | Ki | = | 5310 | nM | 20692829 |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 5210 | nM | 20692829 |
NPT471 | Organism | Trypanosoma brucei brucei | Trypanosoma brucei brucei | IC50 | = | 13800 | nM | 20692829 |
NPT472 | Individual Protein | Vanilloid receptor | Homo sapiens | Activity | = | 0.099 | nM | 16408004 |
NPT346 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Homo sapiens | Activity | = | 0.01 | nM | 16408004 |
NPT87 | Organism | Aspergillus fumigatus | Aspergillus fumigatus | MFC | = | 7.5 | ug/ml | 19949059 |
NPT87 | Organism | Aspergillus fumigatus | Aspergillus fumigatus | MFC | = | 15 | ug/ml | 19949059 |
NPT87 | Organism | Aspergillus fumigatus | Aspergillus fumigatus | MIC | = | 30 | ug/ml | 19949059 |
NPT473 | Protein Complex | Amiloride-sensitive sodium channel, ENaC | Homo sapiens | Inhibition | = | 77 | % | 22668601 |
NPT474 | Organism | Plasmodium berghei | Plasmodium berghei | IC50 | = | 6800 | nM | 22122518 |
NPT474 | Organism | Plasmodium berghei | Plasmodium berghei | IC50 | = | 39400 | nM | 22122518 |
NPT474 | Organism | Plasmodium berghei | Plasmodium berghei | Inhibition | = | 37 | % | 22122518 |
NPT475 | Organism | Plasmodium yoelii | Plasmodium yoelii | IC50 | = | 40000 | nM | 22122518 |
NPT450 | Organism | Meloidogyne incognita | Meloidogyne incognita | Activity | = | 50 | % | 12147760 |
NPT144 | Individual Protein | Telomerase reverse transcriptase | Homo sapiens | IC50 | = | 500 | nM | 10.1039/C0MD00241K |
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 NPC2088 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 |
---|---|---|
0.96 | High Similarity | NPC46648 |
0.8571 | High Similarity | NPC168614 |
0.8571 | High Similarity | NPC204251 |
0.8333 | Intermediate Similarity | NPC220140 |
0.8333 | Intermediate Similarity | NPC184203 |
0.8 | Intermediate Similarity | NPC142438 |
0.72 | Intermediate Similarity | NPC476548 |
0.72 | Intermediate Similarity | NPC326758 |
0.7037 | Intermediate Similarity | NPC156018 |
0.68 | Remote Similarity | NPC476549 |
0.6765 | Remote Similarity | NPC277288 |
0.6667 | Remote Similarity | NPC476550 |
0.6216 | Remote Similarity | NPC205586 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC2088 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
PubChem CID   | 65036 |
ChEMBL   | CHEMBL359965 |
ZINC   |
Molecular Weight:   | 162.02 |
ALogP:   | 1.5076 |
MLogP:   | 1.79 |
XLogP:   | 0.237 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 61.58 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 9 |