Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO11457 | Chelidonium majus | Species | Papaveraceae | Eukaryota | HerDing* | |||
NPO16775 | Thermopsis lanceolata | Species | Fabaceae | Eukaryota | HerDing* | |||
NPO2342 | Cytisus scoparius | Species | Fabaceae | Eukaryota | HerDing* | |||
NPO25469 | Lupinus luteus | Species | Fabaceae | Eukaryota | HerDing* | |||
NPO25980 | Rhododendron molle | Species | Ericaceae | Eukaryota | HerDing* | |||
NPO24195 | Stylissa carteri | Species | Axinellidae | Eukaryota | UNPD* | |||
NPO20414 | Ocimum basilicum | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO3866 | Pistia stratiotes | Species | Araceae | Eukaryota | UNPD* | |||
NPO2502 | Lupinus mexicanus | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO21982 | Erechtites hieraciifolius | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO21102 | Thalictrum wangii | Species | Ranunculaceae | Eukaryota | UNPD* | |||
NPO12511 | Leplaea thompsonii | Species | Meliaceae | Eukaryota | UNPD* | |||
NPO5390 | Lupinus pusillus | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO16529 | Plagiodera versicolora | Species | Chrysomelidae | Eukaryota | UNPD* | |||
NPO16775 | Thermopsis lanceolata | Species | Fabaceae | Eukaryota | TCMID* | |||
NPO25980 | Rhododendron molle | Species | Ericaceae | Eukaryota | TCMID* | |||
NPO12214 | Leontice robustum | Species | Berberidaceae | Eukaryota | TCMID* | |||
NPO11457 | Chelidonium majus | Species | Papaveraceae | Eukaryota | TCMID* | |||
NPO25469 | Lupinus luteus | Species | Fabaceae | Eukaryota | TCMID* | |||
NPO2342 | Cytisus scoparius | Species | Fabaceae | Eukaryota | TCMID* | |||
NPO21685 | Magnolia coco | Species | Magnoliaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | 8109.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 45.2 | nM | PubChem BioAssay data set | ||
NPT616 | Cell Line | MDCK | Canis lupus familiaris | CC50 | > | 80000 | nM | 25147619 |
NPT1453 | Organism | Influenza A virus (A/PR/8/34(H1N1)) | Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | EC50 | = | 19700 | nM | 25147619 |
NPT2 | Others | Unspecified | AC50 | 631 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 23710.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 28183.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 39810.7 | nM | PubChem BioAssay data set |
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 NPC228980 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
1.0 | High Similarity | NPC243635 |
1.0 | High Similarity | NPC151004 |
0.75 | Intermediate Similarity | NPC290231 |
0.75 | Intermediate Similarity | NPC266383 |
0.75 | Intermediate Similarity | NPC68043 |
0.75 | Intermediate Similarity | NPC48448 |
0.75 | Intermediate Similarity | NPC180401 |
0.75 | Intermediate Similarity | NPC206241 |
0.75 | Intermediate Similarity | NPC271803 |
0.7059 | Intermediate Similarity | NPC17770 |
0.6957 | Remote Similarity | NPC80447 |
0.6618 | Remote Similarity | NPC127553 |
0.6618 | Remote Similarity | NPC255050 |
0.6301 | Remote Similarity | NPC308050 |
0.625 | Remote Similarity | NPC112398 |
0.6234 | Remote Similarity | NPC124359 |
0.6234 | Remote Similarity | NPC153734 |
0.6207 | Remote Similarity | NPC201713 |
0.619 | Remote Similarity | NPC231129 |
0.6133 | Remote Similarity | NPC120699 |
0.6133 | Remote Similarity | NPC127430 |
0.6133 | Remote Similarity | NPC268580 |
0.6094 | Remote Similarity | NPC82919 |
0.6 | Remote Similarity | NPC39308 |
0.5926 | Remote Similarity | NPC168017 |
0.5921 | Remote Similarity | NPC90839 |
0.5897 | Remote Similarity | NPC255430 |
0.5849 | Remote Similarity | NPC471440 |
0.5849 | Remote Similarity | NPC471575 |
0.5783 | Remote Similarity | NPC178632 |
0.5769 | Remote Similarity | NPC31313 |
0.5769 | Remote Similarity | NPC149908 |
0.5769 | Remote Similarity | NPC45906 |
0.5769 | Remote Similarity | NPC288415 |
0.5763 | Remote Similarity | NPC153803 |
0.575 | Remote Similarity | NPC143344 |
0.575 | Remote Similarity | NPC135639 |
0.575 | Remote Similarity | NPC234822 |
0.575 | Remote Similarity | NPC78058 |
0.575 | Remote Similarity | NPC61321 |
0.575 | Remote Similarity | NPC207048 |
0.5696 | Remote Similarity | NPC93630 |
0.5606 | Remote Similarity | NPC21781 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC228980 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
1.0 | High Similarity | NPD1823 | Approved |
1.0 | High Similarity | NPD1822 | Approved |
1.0 | High Similarity | NPD1821 | Approved |
0.7818 | Intermediate Similarity | NPD3727 | Discontinued |
0.661 | Remote Similarity | NPD3711 | Phase 3 |
0.661 | Remote Similarity | NPD3712 | Phase 3 |
0.6552 | Remote Similarity | NPD3721 | Approved |
0.6552 | Remote Similarity | NPD3722 | Approved |
0.6379 | Remote Similarity | NPD5793 | Discontinued |
0.5932 | Remote Similarity | NPD4834 | Discontinued |
0.5902 | Remote Similarity | NPD4839 | Approved |
0.5862 | Remote Similarity | NPD5379 | Clinical (unspecified phase) |
0.5818 | Remote Similarity | NPD390 | Approved |
0.5818 | Remote Similarity | NPD718 | Approved |
0.5625 | Remote Similarity | NPD298 | Clinical (unspecified phase) |
PubChem CID   | 644020 |
ChEMBL   | CHEMBL1908847 |
ZINC   |
Molecular Weight:   | 234.21 |
ALogP:   | -2.3058 |
MLogP:   | 2.89 |
XLogP:   | 2.12 |
# Rotatable Bonds:   | 0 |
Polar Surface Area:   | 6.48 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 4 |
# Heavy Atoms:   | 17 |