Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva | DOI[10.1007/s11306-012-0464-y] | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[24023812] |
||
NPO29463 | Pogostemon cablin | Species | Lamiaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT463 | Individual Protein | HMG-CoA reductase | Rattus norvegicus | Inhibition | = | 0 | % | 3989819 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | < | 10 | % | 6196482 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | = | 12 | % | 6196482 |
NPT253 | Individual Protein | HMG-CoA reductase | Homo sapiens | Ki | = | 23.5 | nM | 15686898 |
NPT253 | Individual Protein | HMG-CoA reductase | Homo sapiens | IC50 | = | 4000 | nM | 15686898 |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | -41.7 | % | 7595594 |
NPT140 | Organism | Artemia | Artemia | LC50 | = | 228 | ppm | 7595594 |
NPT32 | Organism | Mus musculus | Mus musculus | LD50 | = | 7.33 | mg/kg | 7595594 |
NPT32 | Organism | Mus musculus | Mus musculus | LD50 | = | 3.23 | mg/kg | 7595594 |
NPT605 | Organism | Homo sapiens | Homo sapiens | Activity | = | 11 | % | 7595594 |
NPT605 | Organism | Homo sapiens | Homo sapiens | Activity | = | 13 | % | 7595594 |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 7.9 | % | 7595594 |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | -21 | % | 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 NPC310220 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 |
---|---|---|
0.8261 | Intermediate Similarity | NPC293378 |
0.8049 | Intermediate Similarity | NPC325454 |
0.8 | Intermediate Similarity | NPC133771 |
0.7959 | Intermediate Similarity | NPC65985 |
0.7755 | Intermediate Similarity | NPC317680 |
0.7692 | Intermediate Similarity | NPC125575 |
0.7674 | Intermediate Similarity | NPC240109 |
0.7647 | Intermediate Similarity | NPC68743 |
0.7647 | Intermediate Similarity | NPC60830 |
0.75 | Intermediate Similarity | NPC198377 |
0.7451 | Intermediate Similarity | NPC6883 |
0.7381 | Intermediate Similarity | NPC206924 |
0.7255 | Intermediate Similarity | NPC19676 |
0.7255 | Intermediate Similarity | NPC323401 |
0.7222 | Intermediate Similarity | NPC179624 |
0.7 | Intermediate Similarity | NPC280532 |
0.6923 | Remote Similarity | NPC174368 |
0.6829 | Remote Similarity | NPC94196 |
0.6818 | Remote Similarity | NPC128713 |
0.6818 | Remote Similarity | NPC38930 |
0.6727 | Remote Similarity | NPC61567 |
0.6667 | Remote Similarity | NPC469921 |
0.6667 | Remote Similarity | NPC7814 |
0.6667 | Remote Similarity | NPC127142 |
0.6667 | Remote Similarity | NPC3531 |
0.6591 | Remote Similarity | NPC252843 |
0.6585 | Remote Similarity | NPC328569 |
0.6552 | Remote Similarity | NPC469923 |
0.6512 | Remote Similarity | NPC191084 |
0.6512 | Remote Similarity | NPC168052 |
0.6512 | Remote Similarity | NPC250870 |
0.65 | Remote Similarity | NPC122768 |
0.65 | Remote Similarity | NPC104195 |
0.65 | Remote Similarity | NPC151140 |
0.65 | Remote Similarity | NPC61066 |
0.6471 | Remote Similarity | NPC46254 |
0.6471 | Remote Similarity | NPC476469 |
0.6429 | Remote Similarity | NPC175342 |
0.6429 | Remote Similarity | NPC18224 |
0.6429 | Remote Similarity | NPC328710 |
0.6393 | Remote Similarity | NPC241949 |
0.6383 | Remote Similarity | NPC248763 |
0.6383 | Remote Similarity | NPC325452 |
0.6341 | Remote Similarity | NPC320981 |
0.6341 | Remote Similarity | NPC241404 |
0.6327 | Remote Similarity | NPC242655 |
0.6327 | Remote Similarity | NPC38891 |
0.6279 | Remote Similarity | NPC307027 |
0.6222 | Remote Similarity | NPC317945 |
0.6222 | Remote Similarity | NPC109026 |
0.6207 | Remote Similarity | NPC475821 |
0.6207 | Remote Similarity | NPC469924 |
0.6154 | Remote Similarity | NPC149209 |
0.6122 | Remote Similarity | NPC319680 |
0.6111 | Remote Similarity | NPC277878 |
0.6 | Remote Similarity | NPC155263 |
0.6 | Remote Similarity | NPC196612 |
0.6 | Remote Similarity | NPC134782 |
0.5965 | Remote Similarity | NPC473936 |
0.5962 | Remote Similarity | NPC200618 |
0.5962 | Remote Similarity | NPC131770 |
0.5926 | Remote Similarity | NPC15129 |
0.5918 | Remote Similarity | NPC289686 |
0.5902 | Remote Similarity | NPC474552 |
0.5882 | Remote Similarity | NPC314679 |
0.587 | Remote Similarity | NPC158179 |
0.5814 | Remote Similarity | NPC228727 |
0.5814 | Remote Similarity | NPC212144 |
0.5778 | Remote Similarity | NPC317203 |
0.5778 | Remote Similarity | NPC316685 |
0.575 | Remote Similarity | NPC230726 |
0.575 | Remote Similarity | NPC314668 |
0.575 | Remote Similarity | NPC3343 |
0.5745 | Remote Similarity | NPC268826 |
0.5745 | Remote Similarity | NPC73245 |
0.5741 | Remote Similarity | NPC90904 |
0.5738 | Remote Similarity | NPC469922 |
0.5714 | Remote Similarity | NPC292641 |
0.5714 | Remote Similarity | NPC476330 |
0.5714 | Remote Similarity | NPC35661 |
0.5714 | Remote Similarity | NPC248139 |
0.5686 | Remote Similarity | NPC55023 |
0.5686 | Remote Similarity | NPC270088 |
0.566 | Remote Similarity | NPC247546 |
0.566 | Remote Similarity | NPC477878 |
0.566 | Remote Similarity | NPC172086 |
0.566 | Remote Similarity | NPC324793 |
0.5652 | Remote Similarity | NPC1037 |
0.5625 | Remote Similarity | NPC201844 |
0.5625 | Remote Similarity | NPC222792 |
0.5625 | Remote Similarity | NPC214610 |
0.5625 | Remote Similarity | NPC154186 |
0.5625 | Remote Similarity | NPC279026 |
0.5625 | Remote Similarity | NPC316217 |
0.5625 | Remote Similarity | NPC118968 |
0.5625 | Remote Similarity | NPC301696 |
0.5625 | Remote Similarity | NPC113928 |
0.5625 | Remote Similarity | NPC183424 |
0.5625 | Remote Similarity | NPC14227 |
0.5625 | Remote Similarity | NPC301585 |
0.5625 | Remote Similarity | NPC294085 |
0.5625 | Remote Similarity | NPC261080 |
0.5614 | Remote Similarity | NPC154626 |
0.56 | Remote Similarity | NPC228782 |
0.56 | Remote Similarity | NPC313565 |
0.56 | Remote Similarity | NPC259982 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC310220 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 |
---|---|---|---|
0.8261 | Intermediate Similarity | NPD71 | Approved |
0.8261 | Intermediate Similarity | NPD9126 | Approved |
0.8261 | Intermediate Similarity | NPD9129 | Approved |
0.8043 | Intermediate Similarity | NPD9130 | Phase 3 |
0.8043 | Intermediate Similarity | NPD9122 | Approved |
0.8043 | Intermediate Similarity | NPD9124 | Approved |
0.8043 | Intermediate Similarity | NPD108 | Approved |
0.8043 | Intermediate Similarity | NPD9128 | Approved |
0.8043 | Intermediate Similarity | NPD9125 | Approved |
0.8043 | Intermediate Similarity | NPD9123 | Approved |
0.8043 | Intermediate Similarity | NPD70 | Approved |
0.8043 | Intermediate Similarity | NPD9127 | Approved |
0.8043 | Intermediate Similarity | NPD9121 | Approved |
0.8043 | Intermediate Similarity | NPD109 | Approved |
0.7111 | Intermediate Similarity | NPD9116 | Phase 1 |
0.6809 | Remote Similarity | NPD8975 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8974 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD9450 | Approved |
0.6667 | Remote Similarity | NPD8857 | Approved |
0.6667 | Remote Similarity | NPD77 | Approved |
0.6522 | Remote Similarity | NPD9635 | Discontinued |
0.6341 | Remote Similarity | NPD8590 | Approved |
0.6226 | Remote Similarity | NPD9638 | Phase 2 |
0.6222 | Remote Similarity | NPD9117 | Approved |
0.6222 | Remote Similarity | NPD9113 | Discontinued |
0.6222 | Remote Similarity | NPD9111 | Approved |
0.6136 | Remote Similarity | NPD9447 | Approved |
0.6111 | Remote Similarity | NPD72 | Approved |
0.6111 | Remote Similarity | NPD9010 | Approved |
0.6111 | Remote Similarity | NPD9008 | Approved |
0.6111 | Remote Similarity | NPD9007 | Approved |
0.6111 | Remote Similarity | NPD9009 | Approved |
0.6111 | Remote Similarity | NPD9011 | Approved |
0.6111 | Remote Similarity | NPD8960 | Approved |
0.6111 | Remote Similarity | NPD65 | Approved |
0.6111 | Remote Similarity | NPD64 | Approved |
0.6111 | Remote Similarity | NPD66 | Approved |
0.5882 | Remote Similarity | NPD634 | Phase 3 |
0.587 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD62 | Approved |
0.569 | Remote Similarity | NPD73 | Approved |
0.566 | Remote Similarity | NPD9003 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD2266 | Phase 2 |
0.566 | Remote Similarity | NPD9005 | Phase 3 |
0.566 | Remote Similarity | NPD9004 | Approved |
0.5625 | Remote Similarity | NPD9448 | Phase 2 |
0.5625 | Remote Similarity | NPD633 | Phase 3 |
0.5625 | Remote Similarity | NPD9655 | Approved |
0.561 | Remote Similarity | NPD106 | Approved |
0.561 | Remote Similarity | NPD8990 | Clinical (unspecified phase) |
PubChem CID   | 1662 |
ChEMBL   | CHEMBL50444 |
ZINC   |
Molecular Weight:   | 162.05 |
ALogP:   | -0.7157 |
MLogP:   | 1.57 |
XLogP:   | -0.965 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 94.83 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 3 |
# Rings:   | 0 |
# Heavy Atoms:   | 11 |