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 |
---|---|---|---|---|---|---|---|---|
NPO10010 | Evernia vulpina | Species | Parmeliaceae | Eukaryota | UNPD* | |||
NPO10393 | Ophidiaster ophidianus | Species | Ophidiasteridae | Eukaryota | UNPD* | |||
NPO10396 | Pteris australis | Species | Pteridaceae | Eukaryota | UNPD* | |||
NPO10425 | Dichotomophthora lutea | Species | NA | Eukaryota | UNPD* | |||
NPO10433 | Centipeda orbicularis | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO10472 | Eria multiflora | Species | Orchidaceae | Eukaryota | UNPD* | |||
NPO10737 | Asteriscus aquaticus | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO10856 | Passiflora edulis | Species | Passifloraceae | Eukaryota | UNPD* | |||
NPO10900 | Cinnamomum subavenium | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO10969 | Epimedium sagittatum | Species | Berberidaceae | Eukaryota | TM-MC* |
Activity Type | # Activity |
---|---|
IC50 | 14 |
Others | 5 |
Activity Type | # Activity |
---|---|
Individual Protein | 6 |
Organism | 3 |
Others | 10 |
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 |
---|---|---|---|---|---|---|---|---|
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | IC50 | > | 100000 | nM | 15270556 |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | IC50 | > | 100000 | nM | 15270556 |
NPT2 | Others | Unspecified | IC50 | = | 4370 | nM | 17512736 | |
NPT2 | Others | Unspecified | Activity | = | 29.89 | % | 17890083 | |
NPT2 | Others | Unspecified | Inhibition | = | 6 | % | 18926710 | |
NPT2 | Others | Unspecified | Inhibition | = | 5.6 | % | 7775983 | |
NPT2 | Others | Unspecified | Inhibition | = | 6.2 | % | 7775983 | |
NPT2 | Others | Unspecified | IC50 | = | 45 | ug/ml | 12713413 | |
NPT2 | Others | Unspecified | Survival | = | 45.8 | % | 25074815 | |
NPT2 | Others | Unspecified | IC50 | > | 50000 | nM | 25769817 |
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 NPC111929 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 | 288 |
0.1-0.2 | 1128 |
0.2-0.3 | 2507 |
0.3-0.4 | 5915 |
0.4-0.5 | 6760 |
0.5-0.6 | 3497 |
0.6-0.7 | 3814 |
0.7-0.8 | 4013 |
0.8-0.85 | 1663 |
0.85-0.9 | 805 |
0.9-0.95 | 375 |
0.95-1 | 124 |
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 NPC111929 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 294 |
0.1-0.2 | 837 |
0.2-0.3 | 1638 |
0.3-0.4 | 2631 |
0.4-0.5 | 2017 |
0.5-0.6 | 1134 |
0.6-0.7 | 411 |
0.7-0.8 | 153 |
0.8-0.85 | 17 |
0.85-0.9 | 21 |
0.9-0.95 | 7 |
0.95-1 | 1 |
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.6993 | Remote Similarity | NPD9545 | Approved |
0.7 | Intermediate Similarity | NPD4361 | Phase 2 |
0.7 | Intermediate Similarity | NPD4362 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD5049 | Phase 3 |
0.7006 | Intermediate Similarity | NPD6398 | Clinical (unspecified phase) |
PubChem CID | 5316673 |
ChEMBL | CHEMBL240528 |
ZINC |
Molecular Weight: | 432.11 |
ALogP: | -3.9318 |
MLogP: | 2.67 |
XLogP: | 0.883 |
# Rotatable Bonds: | 10 |
Polar Surface Area: | 166.14 |
# H-Bond Aceptor: | 6 |
# H-Bond Donor: | 6 |
# Rings: | 4 |
# Heavy Atoms: | 31 |