Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO10012 | Triaenophora rupestris | Species | Orobanchaceae | Eukaryota | UNPD* | |||
NPO10389 | Larix cajanderi | Species | Pinaceae | Eukaryota | UNPD* | |||
NPO10865 | Sextonia rubra | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO1103 | Dioscorea japonica | Species | Dioscoreaceae | Eukaryota | UNPD* | |||
NPO11431 | Jacobaea aquatica | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO11882 | Cedrus libani | Species | Pinaceae | Eukaryota | UNPD* | |||
NPO12061 | Justicia paniculata | Species | Acanthaceae | Eukaryota | UNPD* | |||
NPO12069 | Isaria felina | Species | Cordycipitaceae | Eukaryota | UNPD* | |||
NPO12234 | Khaya ivorensis | Species | Meliaceae | Eukaryota | UNPD* | |||
NPO12235 | Trachelospermum jasminoides | Species | Apocynaceae | Eukaryota | TM-MC* |
Activity Type | # Activity |
---|---|
EC50 | 1 |
IC50 | 10 |
Others | 44 |
Potency | 4 |
Activity Type | # Activity |
---|---|
Cell Line | 9 |
Individual Protein | 10 |
Organism | 14 |
Others | 26 |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT11 | Individual Protein | Guanine nucleotide-binding protein G(s), subunit alpha | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 89125.1 | nM | PubChem BioAssay data set | |
NPT1452 | Cell Line | C8166 | Homo sapiens | TC50 | > | 1000 | ug/ml | 8786362 |
NPT1597 | Cell Line | J774.2 | Inhibition | = | 4.3 | % | 22437110 | |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | = | 2.1 | mm | 21474216 |
NPT173 | Organism | Klebsiella pneumoniae | Klebsiella pneumoniae | IZ | = | 2.5 | mm | 21474216 |
NPT19 | Organism | Escherichia coli | Escherichia coli | IZ | = | 3.3 | mm | 21474216 |
NPT1970 | Cell Line | THP-1 | Homo sapiens | Activity | = | 7.91 | % | 22437110 |
NPT1970 | Cell Line | THP-1 | Homo sapiens | IC50 | = | 84000 | nM | 25111439 |
NPT1970 | Cell Line | THP-1 | Homo sapiens | IC50 | = | 130000 | nM | 25111439 |
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 NPC116850 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 268 |
0.1-0.2 | 1085 |
0.2-0.3 | 2414 |
0.3-0.4 | 5156 |
0.4-0.5 | 7282 |
0.5-0.6 | 3159 |
0.6-0.7 | 3436 |
0.7-0.8 | 5689 |
0.8-0.85 | 1987 |
0.85-0.9 | 379 |
0.9-0.95 | 26 |
0.95-1 | 8 |
Similarity Score | Similarity Level | Natural Product ID |
---|
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
● The left chart: Distribution of similarity level between NPC116850 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 272 |
0.1-0.2 | 862 |
0.2-0.3 | 1826 |
0.3-0.4 | 2579 |
0.4-0.5 | 1885 |
0.5-0.6 | 1044 |
0.6-0.7 | 523 |
0.7-0.8 | 131 |
0.8-0.85 | 33 |
0.85-0.9 | 5 |
0.9-0.95 | 1 |
0.95-1 | 0 |
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.6918 | Remote Similarity | NPD6410 | Clinical (unspecified phase) |
0.6918 | Remote Similarity | NPD1699 | Clinical (unspecified phase) |
0.6919 | Remote Similarity | NPD6841 | Approved |
0.6919 | Remote Similarity | NPD6842 | Approved |
0.6919 | Remote Similarity | NPD6843 | Phase 3 |
PubChem CID | 66065 |
ChEMBL | CHEMBL273019 |
ZINC |
Molecular Weight: | 328.08 |
ALogP: | -2.8389 |
MLogP: | 2.01 |
XLogP: | -2.021 |
# Rotatable Bonds: | 8 |
Polar Surface Area: | 145.91 |
# H-Bond Aceptor: | 6 |
# H-Bond Donor: | 5 |
# Rings: | 3 |
# Heavy Atoms: | 23 |