Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO2179 | Paeoniae radix alba | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 2433.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 61130.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 24336.5 | 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 NPC34873 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 |
---|---|---|
1.0 | High Similarity | NPC40434 |
0.875 | High Similarity | NPC252978 |
0.8333 | Intermediate Similarity | NPC76976 |
0.8205 | Intermediate Similarity | NPC15934 |
0.8095 | Intermediate Similarity | NPC108195 |
0.8056 | Intermediate Similarity | NPC197356 |
0.8056 | Intermediate Similarity | NPC63121 |
0.7907 | Intermediate Similarity | NPC165651 |
0.7907 | Intermediate Similarity | NPC276825 |
0.7907 | Intermediate Similarity | NPC24824 |
0.7907 | Intermediate Similarity | NPC210560 |
0.7907 | Intermediate Similarity | NPC140501 |
0.7805 | Intermediate Similarity | NPC469713 |
0.775 | Intermediate Similarity | NPC103213 |
0.775 | Intermediate Similarity | NPC29091 |
0.775 | Intermediate Similarity | NPC182840 |
0.775 | Intermediate Similarity | NPC255042 |
0.7632 | Intermediate Similarity | NPC58957 |
0.7619 | Intermediate Similarity | NPC304151 |
0.7619 | Intermediate Similarity | NPC206906 |
0.7619 | Intermediate Similarity | NPC249801 |
0.7619 | Intermediate Similarity | NPC46248 |
0.7561 | Intermediate Similarity | NPC329762 |
0.7561 | Intermediate Similarity | NPC27444 |
0.7561 | Intermediate Similarity | NPC103236 |
0.7442 | Intermediate Similarity | NPC269862 |
0.7442 | Intermediate Similarity | NPC116934 |
0.7436 | Intermediate Similarity | NPC79544 |
0.7391 | Intermediate Similarity | NPC62755 |
0.7391 | Intermediate Similarity | NPC302310 |
0.7381 | Intermediate Similarity | NPC269823 |
0.7368 | Intermediate Similarity | NPC250734 |
0.7317 | Intermediate Similarity | NPC171978 |
0.7317 | Intermediate Similarity | NPC277382 |
0.7273 | Intermediate Similarity | NPC138935 |
0.7234 | Intermediate Similarity | NPC474460 |
0.7234 | Intermediate Similarity | NPC291437 |
0.7234 | Intermediate Similarity | NPC328784 |
0.7209 | Intermediate Similarity | NPC68889 |
0.7209 | Intermediate Similarity | NPC108494 |
0.7209 | Intermediate Similarity | NPC209279 |
0.7209 | Intermediate Similarity | NPC67761 |
0.7209 | Intermediate Similarity | NPC213538 |
0.7209 | Intermediate Similarity | NPC194586 |
0.7209 | Intermediate Similarity | NPC149668 |
0.7209 | Intermediate Similarity | NPC180871 |
0.7209 | Intermediate Similarity | NPC88079 |
0.7209 | Intermediate Similarity | NPC256766 |
0.7209 | Intermediate Similarity | NPC51758 |
0.7111 | Intermediate Similarity | NPC160628 |
0.7111 | Intermediate Similarity | NPC269074 |
0.7111 | Intermediate Similarity | NPC117572 |
0.7083 | Intermediate Similarity | NPC129263 |
0.7083 | Intermediate Similarity | NPC473672 |
0.7083 | Intermediate Similarity | NPC474495 |
0.7083 | Intermediate Similarity | NPC151782 |
0.7083 | Intermediate Similarity | NPC71053 |
0.7083 | Intermediate Similarity | NPC59408 |
0.7021 | Intermediate Similarity | NPC153538 |
0.7 | Intermediate Similarity | NPC213767 |
0.7 | Intermediate Similarity | NPC256209 |
0.7 | Intermediate Similarity | NPC110732 |
0.7 | Intermediate Similarity | NPC49059 |
0.6977 | Remote Similarity | NPC188596 |
0.6957 | Remote Similarity | NPC55063 |
0.6957 | Remote Similarity | NPC180575 |
0.6957 | Remote Similarity | NPC157096 |
0.6957 | Remote Similarity | NPC19834 |
0.6939 | Remote Similarity | NPC35756 |
0.6923 | Remote Similarity | NPC81989 |
0.6889 | Remote Similarity | NPC101616 |
0.6875 | Remote Similarity | NPC225974 |
0.6875 | Remote Similarity | NPC20934 |
0.6875 | Remote Similarity | NPC288381 |
0.6875 | Remote Similarity | NPC72699 |
0.6863 | Remote Similarity | NPC317899 |
0.6863 | Remote Similarity | NPC242930 |
0.6863 | Remote Similarity | NPC227135 |
0.6829 | Remote Similarity | NPC216416 |
0.6809 | Remote Similarity | NPC91495 |
0.68 | Remote Similarity | NPC284224 |
0.68 | Remote Similarity | NPC217188 |
0.68 | Remote Similarity | NPC26102 |
0.68 | Remote Similarity | NPC477724 |
0.68 | Remote Similarity | NPC187361 |
0.68 | Remote Similarity | NPC474496 |
0.68 | Remote Similarity | NPC34577 |
0.6744 | Remote Similarity | NPC56917 |
0.6735 | Remote Similarity | NPC93639 |
0.6735 | Remote Similarity | NPC29234 |
0.6731 | Remote Similarity | NPC324224 |
0.6731 | Remote Similarity | NPC472808 |
0.6667 | Remote Similarity | NPC300121 |
0.6667 | Remote Similarity | NPC473532 |
0.6667 | Remote Similarity | NPC85079 |
0.6667 | Remote Similarity | NPC248884 |
0.6667 | Remote Similarity | NPC270796 |
0.6667 | Remote Similarity | NPC31194 |
0.6667 | Remote Similarity | NPC267110 |
0.6667 | Remote Similarity | NPC149821 |
0.6667 | Remote Similarity | NPC137538 |
0.6667 | Remote Similarity | NPC5413 |
0.6604 | Remote Similarity | NPC323436 |
0.6596 | Remote Similarity | NPC35141 |
0.6596 | Remote Similarity | NPC42304 |
0.6596 | Remote Similarity | NPC124183 |
0.6591 | Remote Similarity | NPC33489 |
0.6579 | Remote Similarity | NPC28077 |
0.6538 | Remote Similarity | NPC232247 |
0.6538 | Remote Similarity | NPC281590 |
0.6538 | Remote Similarity | NPC473896 |
0.6538 | Remote Similarity | NPC473735 |
0.6538 | Remote Similarity | NPC473721 |
0.6538 | Remote Similarity | NPC473910 |
0.6538 | Remote Similarity | NPC148216 |
0.6538 | Remote Similarity | NPC473725 |
0.6538 | Remote Similarity | NPC251666 |
0.6538 | Remote Similarity | NPC477725 |
0.6538 | Remote Similarity | NPC130209 |
0.6538 | Remote Similarity | NPC477726 |
0.6538 | Remote Similarity | NPC475353 |
0.6538 | Remote Similarity | NPC148163 |
0.6538 | Remote Similarity | NPC52264 |
0.6531 | Remote Similarity | NPC473768 |
0.6531 | Remote Similarity | NPC59051 |
0.6531 | Remote Similarity | NPC473913 |
0.6531 | Remote Similarity | NPC474642 |
0.6531 | Remote Similarity | NPC249670 |
0.6512 | Remote Similarity | NPC33761 |
0.6486 | Remote Similarity | NPC138325 |
0.6481 | Remote Similarity | NPC10017 |
0.6481 | Remote Similarity | NPC321030 |
0.6458 | Remote Similarity | NPC207292 |
0.6444 | Remote Similarity | NPC287397 |
0.6444 | Remote Similarity | NPC67920 |
0.6444 | Remote Similarity | NPC298710 |
0.6444 | Remote Similarity | NPC208936 |
0.6429 | Remote Similarity | NPC279300 |
0.6429 | Remote Similarity | NPC195109 |
0.6429 | Remote Similarity | NPC174396 |
0.6415 | Remote Similarity | NPC470966 |
0.6415 | Remote Similarity | NPC470967 |
0.6415 | Remote Similarity | NPC475384 |
0.6415 | Remote Similarity | NPC471960 |
0.6415 | Remote Similarity | NPC477661 |
0.6415 | Remote Similarity | NPC48891 |
0.6415 | Remote Similarity | NPC473847 |
0.6415 | Remote Similarity | NPC327388 |
0.6415 | Remote Similarity | NPC470968 |
0.6415 | Remote Similarity | NPC470969 |
0.6415 | Remote Similarity | NPC161838 |
0.64 | Remote Similarity | NPC200772 |
0.64 | Remote Similarity | NPC48162 |
0.64 | Remote Similarity | NPC261571 |
0.64 | Remote Similarity | NPC28205 |
0.64 | Remote Similarity | NPC244038 |
0.6383 | Remote Similarity | NPC87439 |
0.6364 | Remote Similarity | NPC326524 |
0.6364 | Remote Similarity | NPC323278 |
0.6364 | Remote Similarity | NPC12319 |
0.6364 | Remote Similarity | NPC322002 |
0.6364 | Remote Similarity | NPC329003 |
0.6364 | Remote Similarity | NPC325550 |
0.6364 | Remote Similarity | NPC318306 |
0.6364 | Remote Similarity | NPC18205 |
0.6327 | Remote Similarity | NPC471275 |
0.6327 | Remote Similarity | NPC125122 |
0.6327 | Remote Similarity | NPC471276 |
0.6327 | Remote Similarity | NPC207815 |
0.6327 | Remote Similarity | NPC471280 |
0.6327 | Remote Similarity | NPC98284 |
0.6316 | Remote Similarity | NPC138113 |
0.6316 | Remote Similarity | NPC34671 |
0.6304 | Remote Similarity | NPC15162 |
0.6296 | Remote Similarity | NPC472445 |
0.6296 | Remote Similarity | NPC71755 |
0.6296 | Remote Similarity | NPC470970 |
0.6296 | Remote Similarity | NPC323498 |
0.6296 | Remote Similarity | NPC323597 |
0.6296 | Remote Similarity | NPC52012 |
0.6296 | Remote Similarity | NPC211752 |
0.6296 | Remote Similarity | NPC268185 |
0.6279 | Remote Similarity | NPC155880 |
0.6279 | Remote Similarity | NPC92863 |
0.6275 | Remote Similarity | NPC92114 |
0.6275 | Remote Similarity | NPC281245 |
0.6275 | Remote Similarity | NPC188341 |
0.6275 | Remote Similarity | NPC142092 |
0.6275 | Remote Similarity | NPC49494 |
0.625 | Remote Similarity | NPC258788 |
0.625 | Remote Similarity | NPC81896 |
0.625 | Remote Similarity | NPC327112 |
0.625 | Remote Similarity | NPC321919 |
0.625 | Remote Similarity | NPC243532 |
0.6226 | Remote Similarity | NPC298299 |
0.6226 | Remote Similarity | NPC329686 |
0.62 | Remote Similarity | NPC26960 |
0.62 | Remote Similarity | NPC329773 |
0.62 | Remote Similarity | NPC199286 |
0.62 | Remote Similarity | NPC473487 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC34873 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 |
---|---|---|---|
0.7907 | Intermediate Similarity | NPD4265 | Approved |
0.7111 | Intermediate Similarity | NPD4222 | Approved |
0.6739 | Remote Similarity | NPD39 | Approved |
0.6667 | Remote Similarity | NPD5326 | Phase 3 |
0.6667 | Remote Similarity | NPD3173 | Approved |
0.6538 | Remote Similarity | NPD342 | Phase 1 |
0.6458 | Remote Similarity | NPD5343 | Approved |
0.625 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6182 | Remote Similarity | NPD6109 | Phase 1 |
0.6182 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.617 | Remote Similarity | NPD6097 | Approved |
0.617 | Remote Similarity | NPD6096 | Approved |
0.6154 | Remote Similarity | NPD3172 | Approved |
0.6042 | Remote Similarity | NPD3174 | Discontinued |
0.6038 | Remote Similarity | NPD3196 | Approved |
0.6038 | Remote Similarity | NPD4266 | Approved |
0.6038 | Remote Similarity | NPD3195 | Phase 2 |
0.6038 | Remote Similarity | NPD3194 | Approved |
0.5932 | Remote Similarity | NPD3197 | Phase 1 |
0.5862 | Remote Similarity | NPD368 | Approved |
0.5818 | Remote Similarity | NPD4219 | Approved |
0.5778 | Remote Similarity | NPD5783 | Phase 3 |
0.5763 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD4220 | Pre-registration |
0.5645 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
PubChem CID   | 5352837 |
ChEMBL   | CHEMBL3184730 |
ZINC   |
Molecular Weight:   | 128.12 |
ALogP:   | -0.538 |
MLogP:   | 2.23 |
XLogP:   | 2.611 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 9 |