Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO26429 | Capsella bursa-pastoris | Species | Brassicaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 24544.2 | nM | PubChem BioAssay data set | ||
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 19496.2 | nM | PubChem BioAssay data set | |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 54947.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 38570.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 19496.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT162 | Individual Protein | Heat shock protein beta-1 | Homo sapiens | Potency | 61652.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 17376 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 30899.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 43646.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54482.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 43277.1 | 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 NPC69245 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 |
---|---|---|
0.8857 | High Similarity | NPC218357 |
0.8529 | High Similarity | NPC179831 |
0.8529 | High Similarity | NPC254713 |
0.8529 | High Similarity | NPC262505 |
0.8529 | High Similarity | NPC49151 |
0.8529 | High Similarity | NPC261991 |
0.8056 | Intermediate Similarity | NPC49615 |
0.7727 | Intermediate Similarity | NPC13105 |
0.7692 | Intermediate Similarity | NPC223315 |
0.7647 | Intermediate Similarity | NPC287782 |
0.7647 | Intermediate Similarity | NPC32279 |
0.7632 | Intermediate Similarity | NPC301919 |
0.7317 | Intermediate Similarity | NPC135077 |
0.7317 | Intermediate Similarity | NPC215118 |
0.7317 | Intermediate Similarity | NPC59570 |
0.7317 | Intermediate Similarity | NPC45270 |
0.7222 | Intermediate Similarity | NPC321646 |
0.7073 | Intermediate Similarity | NPC141634 |
0.7059 | Intermediate Similarity | NPC59581 |
0.6977 | Remote Similarity | NPC18397 |
0.6944 | Remote Similarity | NPC222997 |
0.6944 | Remote Similarity | NPC42403 |
0.6944 | Remote Similarity | NPC79887 |
0.6944 | Remote Similarity | NPC221192 |
0.6944 | Remote Similarity | NPC29561 |
0.6944 | Remote Similarity | NPC153439 |
0.6944 | Remote Similarity | NPC196434 |
0.6944 | Remote Similarity | NPC4962 |
0.6765 | Remote Similarity | NPC304927 |
0.6765 | Remote Similarity | NPC289974 |
0.6757 | Remote Similarity | NPC168982 |
0.6735 | Remote Similarity | NPC22182 |
0.6667 | Remote Similarity | NPC198118 |
0.6667 | Remote Similarity | NPC305182 |
0.6667 | Remote Similarity | NPC55023 |
0.6667 | Remote Similarity | NPC38859 |
0.6667 | Remote Similarity | NPC295442 |
0.6579 | Remote Similarity | NPC149101 |
0.6579 | Remote Similarity | NPC16578 |
0.6579 | Remote Similarity | NPC76608 |
0.6579 | Remote Similarity | NPC225318 |
0.6579 | Remote Similarity | NPC268596 |
0.6531 | Remote Similarity | NPC314084 |
0.6522 | Remote Similarity | NPC314679 |
0.6512 | Remote Similarity | NPC48930 |
0.6471 | Remote Similarity | NPC250539 |
0.6471 | Remote Similarity | NPC164646 |
0.6444 | Remote Similarity | NPC171783 |
0.6389 | Remote Similarity | NPC100997 |
0.6383 | Remote Similarity | NPC83187 |
0.6383 | Remote Similarity | NPC21844 |
0.6383 | Remote Similarity | NPC98246 |
0.6383 | Remote Similarity | NPC173996 |
0.6383 | Remote Similarity | NPC131981 |
0.6383 | Remote Similarity | NPC22098 |
0.6383 | Remote Similarity | NPC249754 |
0.6383 | Remote Similarity | NPC40249 |
0.6383 | Remote Similarity | NPC285814 |
0.6383 | Remote Similarity | NPC195246 |
0.6383 | Remote Similarity | NPC276009 |
0.6346 | Remote Similarity | NPC188789 |
0.625 | Remote Similarity | NPC324793 |
0.625 | Remote Similarity | NPC294440 |
0.625 | Remote Similarity | NPC477878 |
0.6176 | Remote Similarity | NPC133819 |
0.617 | Remote Similarity | NPC308301 |
0.617 | Remote Similarity | NPC239754 |
0.6136 | Remote Similarity | NPC149299 |
0.6136 | Remote Similarity | NPC40597 |
0.6136 | Remote Similarity | NPC250028 |
0.6136 | Remote Similarity | NPC256163 |
0.6122 | Remote Similarity | NPC247786 |
0.6122 | Remote Similarity | NPC258672 |
0.6122 | Remote Similarity | NPC293343 |
0.6087 | Remote Similarity | NPC106819 |
0.6053 | Remote Similarity | NPC158107 |
0.6047 | Remote Similarity | NPC54980 |
0.6047 | Remote Similarity | NPC201622 |
0.6047 | Remote Similarity | NPC305660 |
0.6047 | Remote Similarity | NPC22903 |
0.6042 | Remote Similarity | NPC163751 |
0.6042 | Remote Similarity | NPC44363 |
0.6042 | Remote Similarity | NPC110234 |
0.6 | Remote Similarity | NPC248763 |
0.6 | Remote Similarity | NPC325452 |
0.6 | Remote Similarity | NPC53541 |
0.5918 | Remote Similarity | NPC20017 |
0.5909 | Remote Similarity | NPC81263 |
0.5909 | Remote Similarity | NPC219536 |
0.5909 | Remote Similarity | NPC3531 |
0.5909 | Remote Similarity | NPC31551 |
0.5909 | Remote Similarity | NPC223249 |
0.5909 | Remote Similarity | NPC80234 |
0.5882 | Remote Similarity | NPC274182 |
0.5882 | Remote Similarity | NPC37479 |
0.5882 | Remote Similarity | NPC236623 |
0.5882 | Remote Similarity | NPC234829 |
0.587 | Remote Similarity | NPC236579 |
0.587 | Remote Similarity | NPC203531 |
0.5854 | Remote Similarity | NPC248190 |
0.5849 | Remote Similarity | NPC100809 |
0.5849 | Remote Similarity | NPC209431 |
0.5849 | Remote Similarity | NPC319589 |
0.5833 | Remote Similarity | NPC66624 |
0.5833 | Remote Similarity | NPC307594 |
0.5833 | Remote Similarity | NPC282440 |
0.5814 | Remote Similarity | NPC14608 |
0.5814 | Remote Similarity | NPC177022 |
0.5778 | Remote Similarity | NPC161097 |
0.5778 | Remote Similarity | NPC28598 |
0.5778 | Remote Similarity | NPC165533 |
0.5745 | Remote Similarity | NPC76051 |
0.5714 | Remote Similarity | NPC121215 |
0.5714 | Remote Similarity | NPC156630 |
0.5686 | Remote Similarity | NPC116906 |
0.5682 | Remote Similarity | NPC316546 |
0.5676 | Remote Similarity | NPC79591 |
0.5667 | Remote Similarity | NPC268039 |
0.566 | Remote Similarity | NPC474141 |
0.566 | Remote Similarity | NPC72722 |
0.5625 | Remote Similarity | NPC47363 |
0.5625 | Remote Similarity | NPC287231 |
0.5625 | Remote Similarity | NPC469781 |
0.5614 | Remote Similarity | NPC470363 |
0.5614 | Remote Similarity | NPC472020 |
0.5614 | Remote Similarity | NPC475821 |
0.5614 | Remote Similarity | NPC226602 |
0.5614 | Remote Similarity | NPC472019 |
0.561 | Remote Similarity | NPC178643 |
0.561 | Remote Similarity | NPC41007 |
0.561 | Remote Similarity | NPC168714 |
0.561 | Remote Similarity | NPC35371 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC69245 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 |
---|---|---|---|
0.6591 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.6522 | Remote Similarity | NPD634 | Phase 3 |
0.6383 | Remote Similarity | NPD344 | Approved |
0.6383 | Remote Similarity | NPD345 | Approved |
0.6383 | Remote Similarity | NPD343 | Approved |
0.619 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.6098 | Remote Similarity | NPD9447 | Approved |
0.5909 | Remote Similarity | NPD77 | Approved |
0.5909 | Remote Similarity | NPD9450 | Approved |
0.5849 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.5769 | Remote Similarity | NPD3186 | Phase 1 |
0.5682 | Remote Similarity | NPD3206 | Approved |
0.5625 | Remote Similarity | NPD2699 | Approved |
0.5614 | Remote Similarity | NPD3198 | Approved |
PubChem CID   | 61031 |
ChEMBL   | CHEMBL3182849 |
ZINC   |
Molecular Weight:   | 184.18 |
ALogP:   | -1.6067 |
MLogP:   | 2.67 |
XLogP:   | 5.432 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 13 |