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 |
---|---|---|---|---|---|---|---|---|
NPO10605 | Tristania conferta | Species | Myrtaceae | Eukaryota | UNPD* | |||
NPO10638 | Plectranthus myrianthus | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO10712 | Tabebuia rosea | Species | Bignoniaceae | Eukaryota | UNPD* | |||
NPO10922 | Pentaclethra macrophylla | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO11190 | Veronica polita | Species | Plantaginaceae | Eukaryota | UNPD* | |||
NPO11576 | Glycosmis macrophylla | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO11603 | Lathyrus macrorrhizus | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO11677 | Lactobacillus acidophilus | Species | Lactobacillaceae | Bacteria | UNPD* | |||
NPO11843 | Stephania zippeliana | Species | Menispermaceae | Eukaryota | UNPD* | |||
NPO12072 | Escallonia philippiana | Species | Escalloniaceae | Eukaryota | UNPD* |
Activity Type | # Activity |
---|---|
EC50 | 6 |
IC50 | 6 |
Others | 20 |
Activity Type | # Activity |
---|---|
Cell Line | 6 |
Organism | 3 |
Others | 23 |
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 |
---|---|---|---|---|---|---|---|---|
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | > | 40000 | nM | 23691952 |
NPT2 | Others | Unspecified | Activity | = | 0 | % | 12502340 | |
NPT2 | Others | Unspecified | Activity | = | 22.5 | % | 12502340 | |
NPT2 | Others | Unspecified | Activity | = | 70.4 | % | 12502340 | |
NPT2 | Others | Unspecified | Activity | = | 91.9 | % | 12502340 | |
NPT2 | Others | Unspecified | IC50 | = | 650000 | nM | 10.1021/np50116a012 | |
NPT2 | Others | Unspecified | EC50 | = | 48100 | nM | 21793559 | |
NPT2 | Others | Unspecified | EC50 | = | 33300 | nM | 21793559 | |
NPT2 | Others | Unspecified | EC50 | = | 24900 | nM | 21793559 | |
NPT2 | Others | Unspecified | EC50 | = | 31200 | nM | 21793559 |
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 NPC161923 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 | 81 |
0.1-0.2 | 620 |
0.2-0.3 | 3329 |
0.3-0.4 | 10521 |
0.4-0.5 | 6857 |
0.5-0.6 | 4779 |
0.6-0.7 | 3340 |
0.7-0.8 | 1165 |
0.8-0.85 | 125 |
0.85-0.9 | 45 |
0.9-0.95 | 18 |
0.95-1 | 9 |
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 NPC161923 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 113 |
0.1-0.2 | 1026 |
0.2-0.3 | 3673 |
0.3-0.4 | 2848 |
0.4-0.5 | 902 |
0.5-0.6 | 274 |
0.6-0.7 | 226 |
0.7-0.8 | 95 |
0.8-0.85 | 4 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|
PubChem CID | 221580 |
ChEMBL | CHEMBL513197 |
ZINC |
Molecular Weight: | 302.22 |
ALogP: | 1.7675 |
MLogP: | 3.44 |
XLogP: | 6.935 |
# Rotatable Bonds: | 6 |
Polar Surface Area: | 37.3 |
# H-Bond Aceptor: | 2 |
# H-Bond Donor: | 1 |
# Rings: | 3 |
# Heavy Atoms: | 22 |