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* | |||
NPO10970 | Osmorhiza aristata | Species | Apiaceae | Eukaryota | UNPD* | |||
NPO11339 | Litsea salicifolia | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO11506 | Stipa vaseyi | Species | Poaceae | Eukaryota | UNPD* | |||
NPO12118 | Cleistopholis staudtii | Species | Annonaceae | Eukaryota | UNPD* | |||
NPO12602 | Leuzea centauroides | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO12828 | Dysidea tupha | Species | Dysideidae | Eukaryota | UNPD* | |||
NPO1539 | Artemisia giraldii | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO15454 | Vitex rotundifolia | Species | Lamiaceae | Eukaryota | fruits |
PMID[24035341] |
||
NPO15597 | Calystegia pubescens | Species | Convolvulaceae | Eukaryota | UNPD* |
Activity Type | # Activity |
---|---|
GI50 | 59 |
IC50 | 10 |
Others | 10 |
Activity Type | # Activity |
---|---|
Cell Line | 75 |
Organism | 3 |
Others | 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 |
---|---|---|---|---|---|---|---|---|
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 51641.64 | nM | PubChem BioAssay data set | |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 9800 | nM | 21435874 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Activity | > | 90 | % | 24035341 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 38700 | nM | 24035341 |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | IC50 | > | 30000 | nM | 21420296 |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | IC50 | = | 23340 | nM | 21420296 |
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 NPC263367 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 | 266 |
0.1-0.2 | 1042 |
0.2-0.3 | 2243 |
0.3-0.4 | 5480 |
0.4-0.5 | 7781 |
0.5-0.6 | 2426 |
0.6-0.7 | 5074 |
0.7-0.8 | 5050 |
0.8-0.85 | 806 |
0.85-0.9 | 528 |
0.9-0.95 | 165 |
0.95-1 | 28 |
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 NPC263367 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 261 |
0.1-0.2 | 822 |
0.2-0.3 | 1507 |
0.3-0.4 | 2581 |
0.4-0.5 | 1941 |
0.5-0.6 | 1025 |
0.6-0.7 | 759 |
0.7-0.8 | 250 |
0.8-0.85 | 11 |
0.85-0.9 | 4 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.7143 | Intermediate Similarity | NPD5691 | Approved |
0.7152 | Intermediate Similarity | NPD6032 | Approved |
0.7152 | Intermediate Similarity | NPD2935 | Discontinued |
0.716 | Intermediate Similarity | NPD7075 | Discontinued |
0.716 | Intermediate Similarity | NPD7240 | Approved |
PubChem CID | 384679 |
ChEMBL | CHEMBL261907 |
ZINC |
Molecular Weight: | 360.16 |
ALogP: | -2.1975 |
MLogP: | 3 |
XLogP: | 1.511 |
# Rotatable Bonds: | 12 |
Polar Surface Area: | 88.38 |
# H-Bond Aceptor: | 2 |
# H-Bond Donor: | 3 |
# Rings: | 3 |
# Heavy Atoms: | 26 |