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 |
---|---|---|---|---|---|---|---|---|
NPO10000 | Rehmanniae radix praeparata | NA | NA | NA | TCMSP* | |||
NPO10003 | Veronica cymbalaria | Species | Plantaginaceae | Eukaryota | UNPD* | |||
NPO10011 | Myrsine capitellata | Species | Primulaceae | Eukaryota | UNPD* | |||
NPO10031 | Euphorbia antiquorum | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO10035 | Ficus pantoniana | Species | Moraceae | Eukaryota | UNPD* | |||
NPO10102 | Pithecellobium albicans | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO10109 | Haemanthus natalensis | Species | Amaryllidaceae | Eukaryota | UNPD* | |||
NPO10511 | Lycopodium confertum | Species | Lycopodiaceae | Eukaryota | UNPD* | |||
NPO10527 | Cyathula tomentosa | Species | Amaranthaceae | Eukaryota | UNPD* | |||
NPO10553 | Heterophyllaea pustulata | Species | Rubiaceae | Eukaryota | UNPD* |
Activity Type | # Activity |
---|---|
IC50 | 5 |
Others | 12 |
Potency | 2 |
Activity Type | # Activity |
---|---|
Cell Line | 3 |
Individual Protein | 12 |
Others | 4 |
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 |
---|---|---|---|---|---|---|---|---|
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 183.6 | nM | PubChem BioAssay data set | |
NPT108 | Individual Protein | Estrogen receptor alpha | Homo sapiens | Activity | = | 81.25 | % | 22137340 |
NPT108 | Individual Protein | Estrogen receptor alpha | Homo sapiens | Activity | = | 99.1 | % | 22137340 |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | > | 10000 | nM | 26859776 |
NPT179 | Cell Line | A2780 | Homo sapiens | IC50 | > | 10000 | nM | 26859776 |
NPT2 | Others | Unspecified | Inhibition | = | 21.7 | % | 12542353 | |
NPT2 | Others | Unspecified | Inhibition | = | 89.3 | % | 12542353 | |
NPT2 | Others | Unspecified | IC50 | > | 10000 | nM | 26859776 | |
NPT30 | Individual Protein | Cyclooxygenase-1 | Homo sapiens | Inhibition | = | 49.9 | % | 26351040 |
NPT30 | Individual Protein | Cyclooxygenase-1 | Homo sapiens | Inhibition | = | 48.2 | % | 26351040 |
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 NPC136699 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 | 114 |
0.1-0.2 | 1071 |
0.2-0.3 | 3757 |
0.3-0.4 | 10125 |
0.4-0.5 | 9554 |
0.5-0.6 | 5018 |
0.6-0.7 | 1125 |
0.7-0.8 | 104 |
0.8-0.85 | 18 |
0.85-0.9 | 1 |
0.9-0.95 | 1 |
0.95-1 | 1 |
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 NPC136699 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 127 |
0.1-0.2 | 1611 |
0.2-0.3 | 4278 |
0.3-0.4 | 2315 |
0.4-0.5 | 615 |
0.5-0.6 | 162 |
0.6-0.7 | 53 |
0.7-0.8 | 0 |
0.8-0.85 | 0 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|
PubChem CID | 91458 |
ChEMBL | CHEMBL514882 |
ZINC |
Molecular Weight: | 346.13 |
ALogP: | -3.5817 |
MLogP: | 2.12 |
XLogP: | -2.39 |
# Rotatable Bonds: | 10 |
Polar Surface Area: | 149.07 |
# H-Bond Aceptor: | 9 |
# H-Bond Donor: | 6 |
# Rings: | 3 |
# Heavy Atoms: | 24 |