Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO19826 | Helicoverpa armigera | Species | Noctuidae | Eukaryota | UNPD* | |||
NPO21300 | Zanthoxylum carolinianum | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO2731 | Craterellus tubaeformis | Species | Cantharellaceae | Eukaryota | UNPD* | |||
NPO23078 | Coniesta ignefusalis | NA | NA | NA | UNPD* | |||
NPO21946 | Fissistigma polyanthum | Species | Annonaceae | Eukaryota | UNPD* | |||
NPO29016 | Valeriana jatamansi | Species | Caprifoliaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT249 | Individual Protein | Glucocorticoid receptor | Homo sapiens | Potency | 28183.8 | 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 NPC252978 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 |
---|---|---|
0.9524 | High Similarity | NPC76976 |
0.875 | High Similarity | NPC40434 |
0.875 | High Similarity | NPC34873 |
0.8409 | Intermediate Similarity | NPC108195 |
0.8125 | Intermediate Similarity | NPC129263 |
0.8 | Intermediate Similarity | NPC256209 |
0.8 | Intermediate Similarity | NPC49059 |
0.7955 | Intermediate Similarity | NPC249801 |
0.7955 | Intermediate Similarity | NPC46248 |
0.7826 | Intermediate Similarity | NPC165651 |
0.7826 | Intermediate Similarity | NPC24824 |
0.7826 | Intermediate Similarity | NPC276825 |
0.7826 | Intermediate Similarity | NPC210560 |
0.78 | Intermediate Similarity | NPC26102 |
0.78 | Intermediate Similarity | NPC187361 |
0.78 | Intermediate Similarity | NPC34577 |
0.78 | Intermediate Similarity | NPC477724 |
0.7674 | Intermediate Similarity | NPC15934 |
0.7556 | Intermediate Similarity | NPC149668 |
0.75 | Intermediate Similarity | NPC52264 |
0.75 | Intermediate Similarity | NPC477726 |
0.75 | Intermediate Similarity | NPC477725 |
0.7451 | Intermediate Similarity | NPC474496 |
0.7447 | Intermediate Similarity | NPC87439 |
0.7447 | Intermediate Similarity | NPC269074 |
0.7407 | Intermediate Similarity | NPC10017 |
0.74 | Intermediate Similarity | NPC474495 |
0.74 | Intermediate Similarity | NPC473672 |
0.74 | Intermediate Similarity | NPC151782 |
0.7358 | Intermediate Similarity | NPC475384 |
0.7358 | Intermediate Similarity | NPC470967 |
0.7358 | Intermediate Similarity | NPC471960 |
0.7358 | Intermediate Similarity | NPC161838 |
0.7358 | Intermediate Similarity | NPC477661 |
0.7358 | Intermediate Similarity | NPC470966 |
0.7358 | Intermediate Similarity | NPC473847 |
0.7358 | Intermediate Similarity | NPC470968 |
0.7358 | Intermediate Similarity | NPC470969 |
0.7347 | Intermediate Similarity | NPC98284 |
0.7347 | Intermediate Similarity | NPC302310 |
0.7347 | Intermediate Similarity | NPC207815 |
0.7308 | Intermediate Similarity | NPC137538 |
0.7308 | Intermediate Similarity | NPC110732 |
0.7292 | Intermediate Similarity | NPC55063 |
0.7292 | Intermediate Similarity | NPC19834 |
0.7273 | Intermediate Similarity | NPC325550 |
0.7273 | Intermediate Similarity | NPC329003 |
0.7273 | Intermediate Similarity | NPC326524 |
0.7255 | Intermediate Similarity | NPC188341 |
0.7255 | Intermediate Similarity | NPC281245 |
0.7255 | Intermediate Similarity | NPC49494 |
0.7222 | Intermediate Similarity | NPC470970 |
0.7209 | Intermediate Similarity | NPC216416 |
0.72 | Intermediate Similarity | NPC72699 |
0.7174 | Intermediate Similarity | NPC304151 |
0.717 | Intermediate Similarity | NPC227135 |
0.717 | Intermediate Similarity | NPC475353 |
0.717 | Intermediate Similarity | NPC473735 |
0.717 | Intermediate Similarity | NPC130209 |
0.717 | Intermediate Similarity | NPC148163 |
0.717 | Intermediate Similarity | NPC473896 |
0.717 | Intermediate Similarity | NPC473721 |
0.717 | Intermediate Similarity | NPC317899 |
0.717 | Intermediate Similarity | NPC148216 |
0.717 | Intermediate Similarity | NPC473725 |
0.717 | Intermediate Similarity | NPC473910 |
0.7143 | Intermediate Similarity | NPC243532 |
0.7115 | Intermediate Similarity | NPC139029 |
0.7115 | Intermediate Similarity | NPC1813 |
0.7115 | Intermediate Similarity | NPC36061 |
0.7115 | Intermediate Similarity | NPC294548 |
0.7111 | Intermediate Similarity | NPC27444 |
0.7111 | Intermediate Similarity | NPC329762 |
0.7111 | Intermediate Similarity | NPC103236 |
0.7091 | Intermediate Similarity | NPC321030 |
0.7091 | Intermediate Similarity | NPC469373 |
0.7083 | Intermediate Similarity | NPC140501 |
0.7073 | Intermediate Similarity | NPC63121 |
0.7073 | Intermediate Similarity | NPC197356 |
0.7059 | Intermediate Similarity | NPC261571 |
0.7059 | Intermediate Similarity | NPC59408 |
0.7059 | Intermediate Similarity | NPC71053 |
0.7021 | Intermediate Similarity | NPC269862 |
0.7018 | Intermediate Similarity | NPC201939 |
0.7018 | Intermediate Similarity | NPC225342 |
0.7018 | Intermediate Similarity | NPC321838 |
0.7 | Intermediate Similarity | NPC24506 |
0.7 | Intermediate Similarity | NPC31194 |
0.7 | Intermediate Similarity | NPC248884 |
0.7 | Intermediate Similarity | NPC112242 |
0.7 | Intermediate Similarity | NPC85079 |
0.7 | Intermediate Similarity | NPC236797 |
0.7 | Intermediate Similarity | NPC147096 |
0.7 | Intermediate Similarity | NPC163556 |
0.7 | Intermediate Similarity | NPC153538 |
0.7 | Intermediate Similarity | NPC225783 |
0.7 | Intermediate Similarity | NPC185041 |
0.6981 | Remote Similarity | NPC424 |
0.6981 | Remote Similarity | NPC473532 |
0.6981 | Remote Similarity | NPC85813 |
0.6981 | Remote Similarity | NPC290563 |
0.6981 | Remote Similarity | NPC6095 |
0.6981 | Remote Similarity | NPC88966 |
0.6981 | Remote Similarity | NPC32467 |
0.6981 | Remote Similarity | NPC25417 |
0.6981 | Remote Similarity | NPC281972 |
0.6981 | Remote Similarity | NPC87564 |
0.6981 | Remote Similarity | NPC261831 |
0.6981 | Remote Similarity | NPC154245 |
0.6977 | Remote Similarity | NPC213767 |
0.6964 | Remote Similarity | NPC122239 |
0.6957 | Remote Similarity | NPC469713 |
0.6939 | Remote Similarity | NPC180575 |
0.6923 | Remote Similarity | NPC92114 |
0.6909 | Remote Similarity | NPC52012 |
0.6897 | Remote Similarity | NPC29697 |
0.6889 | Remote Similarity | NPC182840 |
0.6889 | Remote Similarity | NPC103213 |
0.6889 | Remote Similarity | NPC255042 |
0.6889 | Remote Similarity | NPC29091 |
0.6875 | Remote Similarity | NPC101616 |
0.6863 | Remote Similarity | NPC473913 |
0.6863 | Remote Similarity | NPC20934 |
0.6863 | Remote Similarity | NPC59051 |
0.6863 | Remote Similarity | NPC288381 |
0.6863 | Remote Similarity | NPC249670 |
0.6863 | Remote Similarity | NPC474642 |
0.6852 | Remote Similarity | NPC281590 |
0.6842 | Remote Similarity | NPC240506 |
0.6829 | Remote Similarity | NPC126915 |
0.6809 | Remote Similarity | NPC206906 |
0.6809 | Remote Similarity | NPC67920 |
0.6809 | Remote Similarity | NPC287397 |
0.6809 | Remote Similarity | NPC298710 |
0.6792 | Remote Similarity | NPC70387 |
0.6792 | Remote Similarity | NPC284224 |
0.6792 | Remote Similarity | NPC217188 |
0.6792 | Remote Similarity | NPC321062 |
0.6786 | Remote Similarity | NPC226848 |
0.6786 | Remote Similarity | NPC475830 |
0.678 | Remote Similarity | NPC300593 |
0.678 | Remote Similarity | NPC470320 |
0.678 | Remote Similarity | NPC110241 |
0.6744 | Remote Similarity | NPC58957 |
0.6731 | Remote Similarity | NPC244038 |
0.6731 | Remote Similarity | NPC93639 |
0.6731 | Remote Similarity | NPC29234 |
0.6727 | Remote Similarity | NPC477201 |
0.6727 | Remote Similarity | NPC179764 |
0.6727 | Remote Similarity | NPC18951 |
0.6727 | Remote Similarity | NPC187777 |
0.6727 | Remote Similarity | NPC48891 |
0.6727 | Remote Similarity | NPC274396 |
0.6724 | Remote Similarity | NPC475984 |
0.6724 | Remote Similarity | NPC47333 |
0.6724 | Remote Similarity | NPC475251 |
0.6724 | Remote Similarity | NPC320305 |
0.6724 | Remote Similarity | NPC66460 |
0.6724 | Remote Similarity | NPC328776 |
0.6724 | Remote Similarity | NPC325929 |
0.6724 | Remote Similarity | NPC271282 |
0.6667 | Remote Similarity | NPC136164 |
0.6667 | Remote Similarity | NPC291158 |
0.6667 | Remote Similarity | NPC181516 |
0.6667 | Remote Similarity | NPC272998 |
0.6667 | Remote Similarity | NPC319034 |
0.6667 | Remote Similarity | NPC15162 |
0.6667 | Remote Similarity | NPC308844 |
0.6667 | Remote Similarity | NPC471275 |
0.6667 | Remote Similarity | NPC116934 |
0.6667 | Remote Similarity | NPC125122 |
0.6667 | Remote Similarity | NPC255863 |
0.6667 | Remote Similarity | NPC72324 |
0.6667 | Remote Similarity | NPC193062 |
0.6667 | Remote Similarity | NPC66124 |
0.6667 | Remote Similarity | NPC471276 |
0.6667 | Remote Similarity | NPC471280 |
0.6667 | Remote Similarity | NPC62755 |
0.6667 | Remote Similarity | NPC185538 |
0.6667 | Remote Similarity | NPC245947 |
0.6667 | Remote Similarity | NPC1748 |
0.6667 | Remote Similarity | NPC149821 |
0.6667 | Remote Similarity | NPC139131 |
0.6667 | Remote Similarity | NPC205141 |
0.6667 | Remote Similarity | NPC5413 |
0.661 | Remote Similarity | NPC211291 |
0.661 | Remote Similarity | NPC473759 |
0.661 | Remote Similarity | NPC279200 |
0.661 | Remote Similarity | NPC473508 |
0.661 | Remote Similarity | NPC133368 |
0.661 | Remote Similarity | NPC470965 |
0.661 | Remote Similarity | NPC474155 |
0.6607 | Remote Similarity | NPC225929 |
0.6607 | Remote Similarity | NPC168308 |
0.6607 | Remote Similarity | NPC302569 |
0.6604 | Remote Similarity | NPC306195 |
0.6604 | Remote Similarity | NPC35756 |
0.6604 | Remote Similarity | NPC179169 |
0.6604 | Remote Similarity | NPC181255 |
0.6604 | Remote Similarity | NPC157781 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC252978 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 |
---|---|---|---|
0.717 | Intermediate Similarity | NPD342 | Phase 1 |
0.7115 | Intermediate Similarity | NPD3172 | Approved |
0.7083 | Intermediate Similarity | NPD4265 | Approved |
0.6981 | Remote Similarity | NPD3195 | Phase 2 |
0.6981 | Remote Similarity | NPD3196 | Approved |
0.6981 | Remote Similarity | NPD4266 | Approved |
0.6981 | Remote Similarity | NPD3194 | Approved |
0.678 | Remote Similarity | NPD3197 | Phase 1 |
0.6667 | Remote Similarity | NPD2272 | Approved |
0.6667 | Remote Similarity | NPD5383 | Approved |
0.6667 | Remote Similarity | NPD3173 | Approved |
0.6552 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6471 | Remote Similarity | NPD622 | Approved |
0.6415 | Remote Similarity | NPD29 | Approved |
0.6415 | Remote Similarity | NPD28 | Approved |
0.64 | Remote Similarity | NPD39 | Approved |
0.64 | Remote Similarity | NPD4222 | Approved |
0.6167 | Remote Similarity | NPD6949 | Clinical (unspecified phase) |
0.6167 | Remote Similarity | NPD368 | Approved |
0.614 | Remote Similarity | NPD4219 | Approved |
0.6078 | Remote Similarity | NPD3174 | Discontinued |
0.6066 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5326 | Phase 3 |
0.5909 | Remote Similarity | NPD7143 | Approved |
0.5909 | Remote Similarity | NPD7144 | Approved |
0.5849 | Remote Similarity | NPD5343 | Approved |
0.5821 | Remote Similarity | NPD7152 | Approved |
0.5821 | Remote Similarity | NPD7151 | Approved |
0.5821 | Remote Similarity | NPD7150 | Approved |
0.5758 | Remote Similarity | NPD6922 | Approved |
0.5758 | Remote Similarity | NPD6923 | Approved |
0.5692 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD6109 | Phase 1 |
0.5667 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD6926 | Approved |
0.5652 | Remote Similarity | NPD6924 | Approved |
PubChem CID   | 5364712 |
ChEMBL   | CHEMBL1904946 |
ZINC   |
Molecular Weight:   | 212.21 |
ALogP:   | -1.7224 |
MLogP:   | 2.89 |
XLogP:   | 6.025 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 15 |