Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO3894 | Dendrobium nobile | Species | Orchidaceae | Eukaryota | TCM_Taiwan* | |||
NPO1753 | Schisandrae chinensis fructus | NA | NA | NA | TCMSP* | |||
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO5270 | Citrus natsudaidai | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO19787 | Citrus sinensis | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO21771 | Citrus trifoliata | Species | Rutaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | -7.4 | % | 7595594 |
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 NPC65985 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 |
---|---|---|
0.9608 | High Similarity | NPC68743 |
0.9608 | High Similarity | NPC60830 |
0.9423 | High Similarity | NPC198377 |
0.9184 | High Similarity | NPC293378 |
0.9074 | High Similarity | NPC179624 |
0.8679 | High Similarity | NPC6883 |
0.8545 | High Similarity | NPC61567 |
0.8491 | Intermediate Similarity | NPC323401 |
0.8491 | Intermediate Similarity | NPC19676 |
0.7959 | Intermediate Similarity | NPC310220 |
0.7308 | Intermediate Similarity | NPC242655 |
0.7308 | Intermediate Similarity | NPC38891 |
0.72 | Intermediate Similarity | NPC240109 |
0.7188 | Intermediate Similarity | NPC241949 |
0.717 | Intermediate Similarity | NPC133771 |
0.7091 | Intermediate Similarity | NPC46254 |
0.7018 | Intermediate Similarity | NPC277878 |
0.7 | Intermediate Similarity | NPC293692 |
0.7 | Intermediate Similarity | NPC220922 |
0.6897 | Remote Similarity | NPC196612 |
0.68 | Remote Similarity | NPC128713 |
0.6731 | Remote Similarity | NPC121018 |
0.6731 | Remote Similarity | NPC100742 |
0.6731 | Remote Similarity | NPC192402 |
0.6731 | Remote Similarity | NPC97444 |
0.6731 | Remote Similarity | NPC19044 |
0.6731 | Remote Similarity | NPC35661 |
0.6731 | Remote Similarity | NPC24751 |
0.6724 | Remote Similarity | NPC317680 |
0.6667 | Remote Similarity | NPC270088 |
0.6607 | Remote Similarity | NPC172086 |
0.6607 | Remote Similarity | NPC247546 |
0.6604 | Remote Similarity | NPC228782 |
0.6604 | Remote Similarity | NPC313565 |
0.6604 | Remote Similarity | NPC259982 |
0.66 | Remote Similarity | NPC206924 |
0.6481 | Remote Similarity | NPC319680 |
0.6471 | Remote Similarity | NPC325454 |
0.6462 | Remote Similarity | NPC317651 |
0.6462 | Remote Similarity | NPC258690 |
0.6324 | Remote Similarity | NPC469925 |
0.6275 | Remote Similarity | NPC317945 |
0.625 | Remote Similarity | NPC323945 |
0.6226 | Remote Similarity | NPC320331 |
0.6154 | Remote Similarity | NPC38930 |
0.6154 | Remote Similarity | NPC320296 |
0.6122 | Remote Similarity | NPC125575 |
0.6087 | Remote Similarity | NPC57788 |
0.6087 | Remote Similarity | NPC32148 |
0.6087 | Remote Similarity | NPC53879 |
0.6078 | Remote Similarity | NPC1037 |
0.6061 | Remote Similarity | NPC469923 |
0.6038 | Remote Similarity | NPC222792 |
0.6038 | Remote Similarity | NPC316217 |
0.6027 | Remote Similarity | NPC125164 |
0.6 | Remote Similarity | NPC127142 |
0.6 | Remote Similarity | NPC7814 |
0.5932 | Remote Similarity | NPC328954 |
0.5918 | Remote Similarity | NPC212144 |
0.5789 | Remote Similarity | NPC474003 |
0.5781 | Remote Similarity | NPC3547 |
0.5769 | Remote Similarity | NPC5505 |
0.5758 | Remote Similarity | NPC475821 |
0.5758 | Remote Similarity | NPC17935 |
0.5753 | Remote Similarity | NPC96322 |
0.5686 | Remote Similarity | NPC307027 |
0.5672 | Remote Similarity | NPC469921 |
0.566 | Remote Similarity | NPC109026 |
0.5647 | Remote Similarity | NPC65359 |
0.5634 | Remote Similarity | NPC286842 |
0.5606 | Remote Similarity | NPC320032 |
0.56 | Remote Similarity | NPC280532 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC65985 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 |
---|---|---|---|
0.9184 | High Similarity | NPD71 | Approved |
0.9184 | High Similarity | NPD9126 | Approved |
0.9184 | High Similarity | NPD9129 | Approved |
0.898 | High Similarity | NPD109 | Approved |
0.898 | High Similarity | NPD9122 | Approved |
0.898 | High Similarity | NPD108 | Approved |
0.898 | High Similarity | NPD9127 | Approved |
0.898 | High Similarity | NPD70 | Approved |
0.898 | High Similarity | NPD9123 | Approved |
0.898 | High Similarity | NPD9124 | Approved |
0.898 | High Similarity | NPD9125 | Approved |
0.898 | High Similarity | NPD9130 | Phase 3 |
0.898 | High Similarity | NPD9128 | Approved |
0.898 | High Similarity | NPD9121 | Approved |
0.7018 | Intermediate Similarity | NPD9010 | Approved |
0.7018 | Intermediate Similarity | NPD9008 | Approved |
0.7018 | Intermediate Similarity | NPD9009 | Approved |
0.7018 | Intermediate Similarity | NPD64 | Approved |
0.7018 | Intermediate Similarity | NPD65 | Approved |
0.7018 | Intermediate Similarity | NPD66 | Approved |
0.7018 | Intermediate Similarity | NPD9011 | Approved |
0.7018 | Intermediate Similarity | NPD8960 | Approved |
0.7018 | Intermediate Similarity | NPD72 | Approved |
0.7018 | Intermediate Similarity | NPD9007 | Approved |
0.7 | Intermediate Similarity | NPD8959 | Approved |
0.6731 | Remote Similarity | NPD8605 | Approved |
0.6731 | Remote Similarity | NPD8602 | Approved |
0.6731 | Remote Similarity | NPD8600 | Approved |
0.6731 | Remote Similarity | NPD8599 | Approved |
0.6731 | Remote Similarity | NPD8598 | Approved |
0.6731 | Remote Similarity | NPD8601 | Approved |
0.6731 | Remote Similarity | NPD8604 | Approved |
0.6731 | Remote Similarity | NPD8603 | Approved |
0.6607 | Remote Similarity | NPD9004 | Approved |
0.6607 | Remote Similarity | NPD9005 | Phase 3 |
0.6607 | Remote Similarity | NPD9003 | Clinical (unspecified phase) |
0.6557 | Remote Similarity | NPD73 | Approved |
0.6462 | Remote Similarity | NPD8961 | Approved |
0.6271 | Remote Similarity | NPD9001 | Clinical (unspecified phase) |
0.6271 | Remote Similarity | NPD9002 | Approved |
0.6087 | Remote Similarity | NPD898 | Approved |
0.6087 | Remote Similarity | NPD897 | Approved |
0.6087 | Remote Similarity | NPD896 | Approved |
0.6 | Remote Similarity | NPD8857 | Approved |
0.5818 | Remote Similarity | NPD9116 | Phase 1 |
0.5733 | Remote Similarity | NPD11 | Approved |
0.5733 | Remote Similarity | NPD376 | Approved |
0.5672 | Remote Similarity | NPD9120 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD8964 | Approved |
0.5614 | Remote Similarity | NPD8975 | Clinical (unspecified phase) |
PubChem CID   | 12566215 |
ChEMBL   | CHEMBL235362 |
ZINC   |
Molecular Weight:   | 206.04 |
ALogP:   | -1.144 |
MLogP:   | 1.46 |
XLogP:   | -1.926 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 121.13 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 3 |
# Rings:   | 0 |
# Heavy Atoms:   | 14 |