Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO19552 | Notoginseng flos | NA | NA | NA | TCMSP* | |||
NPO22397 | Equiseti hiemalis herba | NA | NA | NA | TCMSP* | |||
NPO1771 | Rose rugosae flos | NA | NA | NA | TCMSP* | |||
NPO7565 | Allium azureum ledeb | Species | Amaryllidaceae | Eukaryota | TCMSP* | |||
NPO15835 | Glycyrrhiza | Species | Fabaceae | Eukaryota | TCMSP* | |||
NPO18129 | Notopterygii rhizoma et radix | NA | NA | NA | TCMSP* | |||
NPO25951 | Chuanxiong rhizoma | NA | NA | NA | TCMSP* | |||
NPO29719 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | TCMSP* | |||
NPO24731 | Sesami nigrum semen | NA | NA | NA | TCMSP* | |||
NPO3724 | Amomum neoaurantiacum | Species | Zingiberaceae | Eukaryota | TCMSP* | |||
NPO29642 | Centipedae herba | NA | NA | NA | TCMSP* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[24421258] |
||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TCM_Taiwan* | |||
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO24644 | Hansenia forbesii | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO2392 | Hansenia weberbaueriana | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO2953 | Ostericum grosseserratum | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO20930 | Patrinia scabiosifolia | Species | Caprifoliaceae | Eukaryota | TM-MC* | |||
NPO9090 | Patrinia villosa | Species | Caprifoliaceae | Eukaryota | TM-MC* | |||
NPO28450 | Phyllanthus emblica | Species | Phyllanthaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 58271.7 | nM | PubChem BioAssay data set | ||
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 7403.5 | nM | PubChem BioAssay data set | |
NPT162 | Individual Protein | Heat shock protein beta-1 | Homo sapiens | Potency | 26268.6 | nM | PubChem BioAssay data set | |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 1304.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 82310.9 | 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 NPC98925 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 |
---|---|---|
0.8667 | High Similarity | NPC302327 |
0.8667 | High Similarity | NPC82648 |
0.8667 | High Similarity | NPC278711 |
0.8667 | High Similarity | NPC64370 |
0.8667 | High Similarity | NPC227986 |
0.8667 | High Similarity | NPC136996 |
0.8667 | High Similarity | NPC273385 |
0.8462 | Intermediate Similarity | NPC150271 |
0.8125 | Intermediate Similarity | NPC89422 |
0.8 | Intermediate Similarity | NPC224874 |
0.7692 | Intermediate Similarity | NPC187095 |
0.7647 | Intermediate Similarity | NPC26229 |
0.7647 | Intermediate Similarity | NPC77249 |
0.7647 | Intermediate Similarity | NPC154477 |
0.7647 | Intermediate Similarity | NPC239406 |
0.7647 | Intermediate Similarity | NPC26974 |
0.6667 | Remote Similarity | NPC236495 |
0.65 | Remote Similarity | NPC127355 |
0.65 | Remote Similarity | NPC234888 |
0.619 | Remote Similarity | NPC47161 |
0.6111 | Remote Similarity | NPC152459 |
0.6 | Remote Similarity | NPC142492 |
0.5909 | Remote Similarity | NPC14312 |
0.5909 | Remote Similarity | NPC27501 |
0.5882 | Remote Similarity | NPC110911 |
0.5789 | Remote Similarity | NPC266796 |
0.5652 | Remote Similarity | NPC172053 |
0.5652 | Remote Similarity | NPC88325 |
0.5652 | Remote Similarity | NPC287807 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC98925 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   | 8900 |
ChEMBL   | CHEMBL134658 |
ZINC   |
Molecular Weight:   | 100.13 |
ALogP:   | -1.3374 |
MLogP:   | 2.23 |
XLogP:   | 4.323 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 0 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |