Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO3724 | Amomum neoaurantiacum | Species | Zingiberaceae | Eukaryota | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 1258.9 | nM | PubChem BioAssay data set |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 18526 | nM | PubChem BioAssay data set | |
NPT249 | Individual Protein | Glucocorticoid receptor | Homo sapiens | Potency | 63.1 | nM | PubChem BioAssay data set | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 2332.3 | nM | PubChem BioAssay data set | |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 1458.1 | nM | PubChem BioAssay data set | |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 25.9 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 155.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 6.9 | 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 NPC283626 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 |
---|---|---|
0.8889 | High Similarity | NPC234005 |
0.7333 | Intermediate Similarity | NPC180423 |
0.7241 | Intermediate Similarity | NPC143211 |
0.7188 | Intermediate Similarity | NPC108238 |
0.7143 | Intermediate Similarity | NPC28246 |
0.7059 | Intermediate Similarity | NPC321699 |
0.7037 | Intermediate Similarity | NPC203105 |
0.7 | Intermediate Similarity | NPC236709 |
0.6897 | Remote Similarity | NPC166804 |
0.6774 | Remote Similarity | NPC248139 |
0.6562 | Remote Similarity | NPC21374 |
0.6552 | Remote Similarity | NPC32280 |
0.6552 | Remote Similarity | NPC41485 |
0.6552 | Remote Similarity | NPC3693 |
0.6538 | Remote Similarity | NPC37493 |
0.6486 | Remote Similarity | NPC94368 |
0.6429 | Remote Similarity | NPC8187 |
0.641 | Remote Similarity | NPC190649 |
0.6364 | Remote Similarity | NPC12904 |
0.6333 | Remote Similarity | NPC211250 |
0.6333 | Remote Similarity | NPC149209 |
0.6207 | Remote Similarity | NPC110107 |
0.6176 | Remote Similarity | NPC41007 |
0.6176 | Remote Similarity | NPC286695 |
0.6176 | Remote Similarity | NPC178643 |
0.6176 | Remote Similarity | NPC168714 |
0.6176 | Remote Similarity | NPC217218 |
0.6176 | Remote Similarity | NPC35371 |
0.6176 | Remote Similarity | NPC99700 |
0.6129 | Remote Similarity | NPC248233 |
0.6061 | Remote Similarity | NPC302611 |
0.6061 | Remote Similarity | NPC198126 |
0.6 | Remote Similarity | NPC176500 |
0.6 | Remote Similarity | NPC154396 |
0.6 | Remote Similarity | NPC7814 |
0.5938 | Remote Similarity | NPC317739 |
0.5938 | Remote Similarity | NPC281943 |
0.5862 | Remote Similarity | NPC23508 |
0.5854 | Remote Similarity | NPC40805 |
0.5833 | Remote Similarity | NPC289344 |
0.5806 | Remote Similarity | NPC127134 |
0.5806 | Remote Similarity | NPC201132 |
0.5758 | Remote Similarity | NPC292641 |
0.5758 | Remote Similarity | NPC151140 |
0.5758 | Remote Similarity | NPC122768 |
0.5758 | Remote Similarity | NPC127696 |
0.5758 | Remote Similarity | NPC61066 |
0.5758 | Remote Similarity | NPC174368 |
0.5758 | Remote Similarity | NPC104195 |
0.5714 | Remote Similarity | NPC322892 |
0.5714 | Remote Similarity | NPC273545 |
0.5676 | Remote Similarity | NPC1037 |
0.5676 | Remote Similarity | NPC154642 |
0.5676 | Remote Similarity | NPC80641 |
0.5676 | Remote Similarity | NPC80396 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC283626 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 |
---|---|---|---|
0.7778 | Intermediate Similarity | NPD8592 | Approved |
0.7778 | Intermediate Similarity | NPD8591 | Approved |
0.7308 | Intermediate Similarity | NPD8616 | Clinical (unspecified phase) |
0.7308 | Intermediate Similarity | NPD8615 | Phase 2 |
0.7 | Intermediate Similarity | NPD8593 | Approved |
0.7 | Intermediate Similarity | NPD8594 | Approved |
0.697 | Remote Similarity | NPD900 | Approved |
0.6774 | Remote Similarity | NPD62 | Approved |
0.6364 | Remote Similarity | NPD8595 | Approved |
0.625 | Remote Similarity | NPD8619 | Approved |
0.625 | Remote Similarity | NPD8617 | Approved |
0.6154 | Remote Similarity | NPD8200 | Phase 2 |
0.6129 | Remote Similarity | NPD106 | Approved |
0.6129 | Remote Similarity | NPD8990 | Clinical (unspecified phase) |
0.6061 | Remote Similarity | NPD8618 | Approved |
0.6 | Remote Similarity | NPD8857 | Approved |
0.5833 | Remote Similarity | NPD8596 | Approved |
0.5806 | Remote Similarity | NPD8989 | Approved |
0.5676 | Remote Similarity | NPD8597 | Approved |
PubChem CID   | 7922 |
ChEMBL   | CHEMBL1370164 |
ZINC   |
Molecular Weight:   | 100.02 |
ALogP:   | -0.145 |
MLogP:   | 1.57 |
XLogP:   | -0.439 |
# Rotatable Bonds:   | 0 |
Polar Surface Area:   | 43.37 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 7 |