Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO16087 | Atractylodes lancea | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO20902 | Atractylodes macrocephala | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO10021 | Nerium oleander | Species | Apocynaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 22387.2 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 130 | nM | PubChem BioAssay data set | |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | 16353.5 | nM | PubChem BioAssay data set | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 18526 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 79432.8 | nM | PubChem BioAssay data set | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 13115.4 | nM | PubChem BioAssay data set | |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 103.2 | nM | PubChem BioAssay data set | |
NPT103 | Individual Protein | Nuclear receptor ROR-gamma | Homo sapiens | Potency | 66824.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 63929.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 56977.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 1.3 | 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 NPC133792 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 |
---|---|---|
0.9231 | High Similarity | NPC7777 |
0.8077 | Intermediate Similarity | NPC27501 |
0.8077 | Intermediate Similarity | NPC14312 |
0.6579 | Remote Similarity | NPC103290 |
0.6552 | Remote Similarity | NPC172053 |
0.641 | Remote Similarity | NPC193180 |
0.5897 | Remote Similarity | NPC227632 |
0.5897 | Remote Similarity | NPC62086 |
0.5897 | Remote Similarity | NPC78551 |
0.5854 | Remote Similarity | NPC192529 |
0.5814 | Remote Similarity | NPC14552 |
0.561 | Remote Similarity | NPC105246 |
0.561 | Remote Similarity | NPC190232 |
0.56 | Remote Similarity | NPC224874 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC133792 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
PubChem CID   | 7044 |
ChEMBL   | CHEMBL1491920 |
ZINC   |
Molecular Weight:   | 138.14 |
ALogP:   | -0.7418 |
MLogP:   | 2.56 |
XLogP:   | 5.228 |
# Rotatable Bonds:   | 0 |
Polar Surface Area:   | 0 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 10 |