Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO11776 | Lithospermum erythrorhizon | Species | Boraginaceae | Eukaryota | TCMSP* | |||
NPO15373 | Actaea dahurica | Species | Ranunculaceae | Eukaryota | TM-MC* | |||
NPO15890 | Actaea cimicifuga | Species | Ranunculaceae | Eukaryota | TM-MC* | |||
NPO389 | Actaea heracleifolia | Species | Ranunculaceae | Eukaryota | TM-MC* | |||
NPO2727 | Actaea simplex | Species | Ranunculaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT32 | Organism | Mus musculus | Mus musculus | ED50 | = | 5.2 | umol/kg | 7650693 |
NPT525 | Individual Protein | Hydroxycarboxylic acid receptor 2 | Homo sapiens | Activity | = | 0 | % | 21167710 |
NPT2 | Others | Unspecified | Potency | 54482.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 10870.7 | 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 NPC308418 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 |
---|---|---|
0.8571 | High Similarity | NPC60675 |
0.8571 | High Similarity | NPC297363 |
0.8378 | Intermediate Similarity | NPC63598 |
0.8049 | Intermediate Similarity | NPC304079 |
0.8049 | Intermediate Similarity | NPC6963 |
0.7949 | Intermediate Similarity | NPC8270 |
0.7778 | Intermediate Similarity | NPC98098 |
0.7778 | Intermediate Similarity | NPC217161 |
0.7778 | Intermediate Similarity | NPC224651 |
0.775 | Intermediate Similarity | NPC221250 |
0.7674 | Intermediate Similarity | NPC87137 |
0.7674 | Intermediate Similarity | NPC308331 |
0.7632 | Intermediate Similarity | NPC107877 |
0.7561 | Intermediate Similarity | NPC102879 |
0.7333 | Intermediate Similarity | NPC126184 |
0.725 | Intermediate Similarity | NPC298413 |
0.7174 | Intermediate Similarity | NPC221467 |
0.7143 | Intermediate Similarity | NPC41409 |
0.7021 | Intermediate Similarity | NPC43053 |
0.6944 | Remote Similarity | NPC242117 |
0.6857 | Remote Similarity | NPC20903 |
0.6739 | Remote Similarity | NPC128520 |
0.6667 | Remote Similarity | NPC270706 |
0.6667 | Remote Similarity | NPC323552 |
0.6667 | Remote Similarity | NPC297608 |
0.66 | Remote Similarity | NPC218486 |
0.66 | Remote Similarity | NPC474127 |
0.6596 | Remote Similarity | NPC137419 |
0.6596 | Remote Similarity | NPC122212 |
0.6522 | Remote Similarity | NPC128280 |
0.65 | Remote Similarity | NPC9290 |
0.6316 | Remote Similarity | NPC273054 |
0.6279 | Remote Similarity | NPC281043 |
0.6279 | Remote Similarity | NPC250954 |
0.625 | Remote Similarity | NPC234084 |
0.6226 | Remote Similarity | NPC294938 |
0.6226 | Remote Similarity | NPC129150 |
0.6226 | Remote Similarity | NPC283502 |
0.6226 | Remote Similarity | NPC293437 |
0.6226 | Remote Similarity | NPC249850 |
0.6226 | Remote Similarity | NPC135863 |
0.6216 | Remote Similarity | NPC280312 |
0.6154 | Remote Similarity | NPC109034 |
0.6154 | Remote Similarity | NPC266979 |
0.6122 | Remote Similarity | NPC236338 |
0.6122 | Remote Similarity | NPC15789 |
0.6111 | Remote Similarity | NPC471619 |
0.6111 | Remote Similarity | NPC21946 |
0.6111 | Remote Similarity | NPC254095 |
0.6111 | Remote Similarity | NPC189700 |
0.6111 | Remote Similarity | NPC223679 |
0.6047 | Remote Similarity | NPC147824 |
0.6 | Remote Similarity | NPC63354 |
0.6 | Remote Similarity | NPC169098 |
0.6 | Remote Similarity | NPC82465 |
0.6 | Remote Similarity | NPC15129 |
0.6 | Remote Similarity | NPC12889 |
0.5957 | Remote Similarity | NPC47946 |
0.5957 | Remote Similarity | NPC26600 |
0.5893 | Remote Similarity | NPC305973 |
0.5893 | Remote Similarity | NPC130953 |
0.5882 | Remote Similarity | NPC191643 |
0.5854 | Remote Similarity | NPC269641 |
0.5854 | Remote Similarity | NPC122676 |
0.5833 | Remote Similarity | NPC314668 |
0.5833 | Remote Similarity | NPC197467 |
0.5833 | Remote Similarity | NPC230726 |
0.5789 | Remote Similarity | NPC317025 |
0.5789 | Remote Similarity | NPC329416 |
0.5789 | Remote Similarity | NPC326645 |
0.5789 | Remote Similarity | NPC317177 |
0.5778 | Remote Similarity | NPC159773 |
0.5741 | Remote Similarity | NPC472808 |
0.5741 | Remote Similarity | NPC51846 |
0.5741 | Remote Similarity | NPC324224 |
0.5714 | Remote Similarity | NPC65353 |
0.5714 | Remote Similarity | NPC90490 |
0.569 | Remote Similarity | NPC475073 |
0.569 | Remote Similarity | NPC68110 |
0.569 | Remote Similarity | NPC473737 |
0.569 | Remote Similarity | NPC2328 |
0.5682 | Remote Similarity | NPC255042 |
0.5682 | Remote Similarity | NPC182840 |
0.5682 | Remote Similarity | NPC29091 |
0.5682 | Remote Similarity | NPC103213 |
0.566 | Remote Similarity | NPC154626 |
0.566 | Remote Similarity | NPC189677 |
0.566 | Remote Similarity | NPC478120 |
0.5652 | Remote Similarity | NPC318351 |
0.5652 | Remote Similarity | NPC57923 |
0.5614 | Remote Similarity | NPC98519 |
0.561 | Remote Similarity | NPC250734 |
0.56 | Remote Similarity | NPC267110 |
0.56 | Remote Similarity | NPC82446 |
0.56 | Remote Similarity | NPC135698 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC308418 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 |
---|---|---|---|
0.7778 | Intermediate Similarity | NPD8573 | Approved |
0.7429 | Intermediate Similarity | NPD9114 | Clinical (unspecified phase) |
0.7333 | Intermediate Similarity | NPD4220 | Pre-registration |
0.6977 | Remote Similarity | NPD9411 | Phase 1 |
0.6857 | Remote Similarity | NPD8187 | Phase 3 |
0.675 | Remote Similarity | NPD9115 | Approved |
0.5789 | Remote Similarity | NPD4194 | Approved |
0.5789 | Remote Similarity | NPD4191 | Approved |
0.5789 | Remote Similarity | NPD4192 | Approved |
0.5789 | Remote Similarity | NPD4193 | Approved |
PubChem CID   | 10931 |
ChEMBL   | CHEMBL115725 |
ZINC   |
Molecular Weight:   | 100.05 |
ALogP:   | 1.2097 |
MLogP:   | 1.79 |
XLogP:   | 0.798 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 37.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |