Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO3853 | Aspidosperma subincanum | Species | Apocynaceae | Eukaryota | UNPD* | |||
NPO5196 | Eupatorium argentinum | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO471 | Ardisia neriifolia | Species | Primulaceae | Eukaryota | UNPD* | |||
NPO3597 | Rheedia acuminata | Species | Clusiaceae | Eukaryota | UNPD* | |||
NPO29628 | Rubi fructus | NA | NA | NA | TCMSP* | |||
NPO29654 | Lonicerae japonicae flos | NA | NA | NA | TCMSP* | |||
NPO1515 | Lonicera japonica | Species | Caprifoliaceae | Eukaryota | TCMID* | |||
NPO4795.1 | Prunus armeniaca var. ansu | Varieties | Rosaceae | Eukaryota | TCMID* | |||
NPO1515 | Lonicera japonica | Species | Caprifoliaceae | Eukaryota | HerDing* | |||
NPO4795.1 | Prunus armeniaca var. ansu | Varieties | Rosaceae | Eukaryota | HerDing* | |||
NPO7569 | Guatteria boliviana | Species | Annonaceae | Eukaryota | UNPD* | |||
NPO6729 | Juniperus brevifolia | Species | Cupressaceae | Eukaryota | UNPD* | |||
NPO4823 | Psiadia dentata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO5155 | Peritassa compta | Species | Celastraceae | Eukaryota | UNPD* | |||
NPO6092 | Symphyocladia latiuscula | Species | Rhodomelaceae | Eukaryota | UNPD* | |||
NPO1515 | Lonicera japonica | Species | Caprifoliaceae | Eukaryota | UNPD* | |||
NPO19948 | Neolentinus lepideus | Species | Gloeophyllaceae | Eukaryota | UNPD* | |||
NPO3699 | Acacia aulacocarpa | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO8418 | Anemone flaccida | Species | Ranunculaceae | Eukaryota | UNPD* | |||
NPO6237 | Cryptocarya aschersoniana | Species | Lauraceae | Eukaryota | UNPD* |
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 | = | 25118.9 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 14125.4 | nM | PubChem BioAssay data set |
NPT249 | Individual Protein | Glucocorticoid receptor | Homo sapiens | Potency | 281.8 | 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 NPC178306 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 |
---|---|---|
0.9474 | High Similarity | NPC225855 |
0.8947 | High Similarity | NPC33192 |
0.8261 | Intermediate Similarity | NPC88325 |
0.7917 | Intermediate Similarity | NPC31891 |
0.7917 | Intermediate Similarity | NPC266539 |
0.7917 | Intermediate Similarity | NPC287191 |
0.7917 | Intermediate Similarity | NPC266144 |
0.7727 | Intermediate Similarity | NPC96619 |
0.75 | Intermediate Similarity | NPC38513 |
0.7308 | Intermediate Similarity | NPC179103 |
0.7308 | Intermediate Similarity | NPC76765 |
0.7308 | Intermediate Similarity | NPC138325 |
0.7037 | Intermediate Similarity | NPC34671 |
0.7037 | Intermediate Similarity | NPC138113 |
0.6786 | Remote Similarity | NPC60288 |
0.6552 | Remote Similarity | NPC151719 |
0.6552 | Remote Similarity | NPC206088 |
0.6552 | Remote Similarity | NPC66577 |
0.6429 | Remote Similarity | NPC123965 |
0.6429 | Remote Similarity | NPC115959 |
0.6296 | Remote Similarity | NPC10183 |
0.6207 | Remote Similarity | NPC16561 |
0.6129 | Remote Similarity | NPC305759 |
0.6129 | Remote Similarity | NPC173592 |
0.6129 | Remote Similarity | NPC99088 |
0.6071 | Remote Similarity | NPC262789 |
0.6071 | Remote Similarity | NPC288991 |
0.6071 | Remote Similarity | NPC64176 |
0.6 | Remote Similarity | NPC3649 |
0.6 | Remote Similarity | NPC471327 |
0.6 | Remote Similarity | NPC100879 |
0.6 | Remote Similarity | NPC196831 |
0.6 | Remote Similarity | NPC142438 |
0.5938 | Remote Similarity | NPC182392 |
0.5862 | Remote Similarity | NPC155900 |
0.5806 | Remote Similarity | NPC13217 |
0.5806 | Remote Similarity | NPC213749 |
0.5758 | Remote Similarity | NPC282119 |
0.5758 | Remote Similarity | NPC79544 |
0.5714 | Remote Similarity | NPC19070 |
0.5714 | Remote Similarity | NPC51067 |
0.5714 | Remote Similarity | NPC179860 |
0.5714 | Remote Similarity | NPC225191 |
0.5625 | Remote Similarity | NPC62779 |
0.5625 | Remote Similarity | NPC81989 |
0.56 | Remote Similarity | NPC184203 |
0.56 | Remote Similarity | NPC220140 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC178306 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 |
---|---|---|---|
0.5769 | Remote Similarity | NPD8834 | Discontinued |
PubChem CID   | 11597 |
ChEMBL   | CHEMBL1548726 |
ZINC   |
Molecular Weight:   | 84.09 |
ALogP:   | 0.4384 |
MLogP:   | 2.12 |
XLogP:   | 3.388 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 0 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 6 |