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 |
---|---|---|---|---|---|---|---|---|
NPO15448 | Chrysothamnus parryi | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO2174 | Polysiphonia elongata | Species | Rhodomelaceae | Eukaryota | UNPD* | |||
NPO26170 | Haliclona mucosa | Species | Chalinidae | Eukaryota | UNPD* | |||
NPO2723 | Artemisia carvifolia | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO3119 | Cephalaria uralensis | Species | Caprifoliaceae | Eukaryota | UNPD* | |||
NPO3924 | Penicillium alutaceum | Species | Aspergillaceae | Eukaryota | UNPD* | |||
NPO4073 | Geranium sylvaticum | Species | Geraniaceae | Eukaryota | UNPD* | |||
NPO5065 | Cladonia fallax | Species | Cladoniaceae | Eukaryota | UNPD* | |||
NPO5301 | Haplophyllum ferganicum | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO550 | Callicarpa maingayi | Species | Lamiaceae | Eukaryota | UNPD* |
Activity Type | # Activity |
---|---|
EC50 | 1 |
ED50 | 5 |
IC50 | 2 |
Others | 3 |
Activity Type | # Activity |
---|---|
Cell Line | 4 |
Individual Protein | 1 |
Organism | 4 |
Others | 1 |
Protein Family | 1 |
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 |
---|---|---|---|---|---|---|---|---|
NPT180 | Cell Line | HCT-8 | Homo sapiens | ED50 | > | 10 | ug/ml | 1431932 |
NPT2 | Others | Unspecified | ED50 | > | 10 | ug/ml | 1431932 | |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | = | 80000 | nM | 10.1016/S0960-894X(00)80422-9 |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | > | 100000 | nM | 10.1016/S0960-894X(00)80422-9 |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Therapeutic index | < | 0.8 | 10.1016/S0960-894X(00)80422-9 | |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Inhibition | = | 0 | % | 10.1016/S0960-894X(00)80422-9 |
NPT316 | Protein Family | Protein kinase C (PKC) | Homo sapiens | IC50 | > | 100000 | nM | 10.1016/S0960-894X(01)81072-6 |
NPT459 | Individual Protein | Human immunodeficiency virus type 1 reverse transcriptase | Human immunodeficiency virus 1 | Inhibition | = | 0 | % | 10.1016/S0960-894X(00)80422-9 |
NPT672 | Cell Line | TE-671 | Homo sapiens | ED50 | > | 10 | ug/ml | 1431932 |
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | > | 10 | ug/ml | 1431932 |
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 NPC114242 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 | 269 |
0.1-0.2 | 1045 |
0.2-0.3 | 2588 |
0.3-0.4 | 5449 |
0.4-0.5 | 7060 |
0.5-0.6 | 3495 |
0.6-0.7 | 4432 |
0.7-0.8 | 5756 |
0.8-0.85 | 633 |
0.85-0.9 | 99 |
0.9-0.95 | 55 |
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 NPC114242 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 273 |
0.1-0.2 | 814 |
0.2-0.3 | 1909 |
0.3-0.4 | 2666 |
0.4-0.5 | 1900 |
0.5-0.6 | 1056 |
0.6-0.7 | 436 |
0.7-0.8 | 98 |
0.8-0.85 | 6 |
0.85-0.9 | 1 |
0.9-0.95 | 2 |
0.95-1 | 0 |
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|
PubChem CID | |
ChEMBL | CHEMBL39744 |
ZINC |
Molecular Weight: | 344.07 |
ALogP: | -3.0176 |
MLogP: | 1.9 |
XLogP: | -2.015 |
# Rotatable Bonds: | 11 |
Polar Surface Area: | 184.98 |
# H-Bond Aceptor: | 7 |
# H-Bond Donor: | 7 |
# Rings: | 2 |
# Heavy Atoms: | 24 |