Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO25443 | Citrus reticulata | Species | Rutaceae | Eukaryota | TCMSP* | |||
NPO29653 | Hippophae fructus | Species | Elaeagnaceae | Eukaryota | TCMSP* | |||
NPO15315 | Boswellia carterii | Species | Burseraceae | Eukaryota | TM-MC* | |||
NPO25443 | Citrus reticulata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO10082 | Citrus unshiu | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | TM-MC* | |||
NPO26650 | Terminalia chebula | Species | Combretaceae | Eukaryota | TM-MC* | |||
NPO18676 | Clerodendrum trichotomum | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO19755 | Artemisia anomala | Species | Asteraceae | Eukaryota | TCMID* | |||
NPO27645 | Fructus galangae | NA | NA | NA | TCMID* | |||
NPO201 | Gmelina arborea | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO22230 | Rhodiola crenulata | Species | Crassulaceae | Eukaryota | TCMID* | |||
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | TCM_Taiwan* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[17314143] |
||
NPO29720 | Dianthi herba | NA | NA | NA | TCMSP* | |||
NPO24758 | Angelica dahurica | Species | Apiaceae | Eukaryota | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 50 | ug/ml | 10.1016/S0960-894X(00)80336-4 |
NPT167 | Organism | Propionibacterium acnes | Propionibacterium acnes | MIC | = | 25 | ug/ml | 10.1016/S0960-894X(00)80336-4 |
NPT167 | Organism | Propionibacterium acnes | Propionibacterium acnes | MIC | = | 25 | ug/ml | 8158169 |
NPT167 | Organism | Propionibacterium acnes | Propionibacterium acnes | MBC | = | 50 | ug/ml | 8158169 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 128 | ug/ml | 19470513 |
NPT540 | Individual Protein | Bile acid receptor FXR | Homo sapiens | Potency | 3.5 | nM | PubChem BioAssay data set | |
NPT158 | Individual Protein | Nuclear receptor subfamily 1 group I member 2 | Rattus norvegicus | Potency | 70794.6 | nM | PubChem BioAssay data set | |
NPT562 | Organism | Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | EC50 | = | 112 | ug/ml | 12926880 |
NPT562 | Organism | Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | EC50 | = | 707945.78 | nM | 12926880 |
NPT312 | Organism | Saccharomyces cerevisiae | Saccharomyces cerevisiae | MFC | = | 50 | ug/ml | 12083872 |
NPT312 | Organism | Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | = | 50 | ug/ml | 12083872 |
NPT2 | Others | Unspecified | Potency | 2438.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 1412537.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 61.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 9688.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 34376.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Ki | = | 169824.37 | nM | 722729 | |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 32 | ug/ml | 26191368 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 256 | ug/ml | 26191368 |
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 NPC24506 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 | NPC112242 |
1.0 | High Similarity | NPC147096 |
1.0 | High Similarity | NPC225783 |
1.0 | High Similarity | NPC185041 |
1.0 | High Similarity | NPC236797 |
1.0 | High Similarity | NPC163556 |
0.9655 | High Similarity | NPC126915 |
0.9333 | High Similarity | NPC185538 |
0.9333 | High Similarity | NPC319034 |
0.9333 | High Similarity | NPC1748 |
0.9333 | High Similarity | NPC193062 |
0.9333 | High Similarity | NPC139131 |
0.9333 | High Similarity | NPC291158 |
0.9333 | High Similarity | NPC181516 |
0.9333 | High Similarity | NPC205141 |
0.9333 | High Similarity | NPC72324 |
0.9333 | High Similarity | NPC66124 |
0.9333 | High Similarity | NPC272998 |
0.9286 | High Similarity | NPC279895 |
0.9 | High Similarity | NPC267243 |
0.9 | High Similarity | NPC122962 |
0.875 | High Similarity | NPC97967 |
0.871 | High Similarity | NPC152759 |
0.871 | High Similarity | NPC12231 |
0.8485 | Intermediate Similarity | NPC474392 |
0.8485 | Intermediate Similarity | NPC474914 |
0.8333 | Intermediate Similarity | NPC110884 |
0.8235 | Intermediate Similarity | NPC74352 |
0.8235 | Intermediate Similarity | NPC177022 |
0.8214 | Intermediate Similarity | NPC275462 |
0.8 | Intermediate Similarity | NPC159845 |
0.7879 | Intermediate Similarity | NPC283682 |
0.7778 | Intermediate Similarity | NPC221022 |
0.7586 | Intermediate Similarity | NPC213764 |
0.75 | Intermediate Similarity | NPC52403 |
0.75 | Intermediate Similarity | NPC197039 |
0.7419 | Intermediate Similarity | NPC223195 |
0.7333 | Intermediate Similarity | NPC560 |
0.7297 | Intermediate Similarity | NPC471282 |
0.7273 | Intermediate Similarity | NPC272426 |
0.7105 | Intermediate Similarity | NPC160261 |
0.7105 | Intermediate Similarity | NPC152008 |
0.7105 | Intermediate Similarity | NPC469759 |
0.7 | Intermediate Similarity | NPC76051 |
0.7 | Intermediate Similarity | NPC232554 |
0.7 | Intermediate Similarity | NPC252978 |
0.6944 | Remote Similarity | NPC61665 |
0.6875 | Remote Similarity | NPC325345 |
0.6857 | Remote Similarity | NPC474120 |
0.6857 | Remote Similarity | NPC139569 |
0.6857 | Remote Similarity | NPC474089 |
0.6829 | Remote Similarity | NPC62014 |
0.6829 | Remote Similarity | NPC215358 |
0.6829 | Remote Similarity | NPC469781 |
0.6786 | Remote Similarity | NPC294703 |
0.6757 | Remote Similarity | NPC277333 |
0.6667 | Remote Similarity | NPC196442 |
0.6667 | Remote Similarity | NPC223374 |
0.6667 | Remote Similarity | NPC76976 |
0.6667 | Remote Similarity | NPC473914 |
0.6667 | Remote Similarity | NPC199270 |
0.6667 | Remote Similarity | NPC301398 |
0.6667 | Remote Similarity | NPC30195 |
0.6667 | Remote Similarity | NPC86545 |
0.6667 | Remote Similarity | NPC87439 |
0.6667 | Remote Similarity | NPC245688 |
0.6667 | Remote Similarity | NPC12438 |
0.6585 | Remote Similarity | NPC144891 |
0.6571 | Remote Similarity | NPC147054 |
0.6562 | Remote Similarity | NPC276332 |
0.6562 | Remote Similarity | NPC39869 |
0.6512 | Remote Similarity | NPC328497 |
0.6512 | Remote Similarity | NPC147343 |
0.6512 | Remote Similarity | NPC289484 |
0.6512 | Remote Similarity | NPC198540 |
0.6512 | Remote Similarity | NPC319709 |
0.6512 | Remote Similarity | NPC287550 |
0.6512 | Remote Similarity | NPC84030 |
0.6512 | Remote Similarity | NPC324004 |
0.6512 | Remote Similarity | NPC176309 |
0.6512 | Remote Similarity | NPC223468 |
0.6512 | Remote Similarity | NPC8597 |
0.6486 | Remote Similarity | NPC328441 |
0.6429 | Remote Similarity | NPC240994 |
0.641 | Remote Similarity | NPC201844 |
0.641 | Remote Similarity | NPC154186 |
0.641 | Remote Similarity | NPC31557 |
0.641 | Remote Similarity | NPC261080 |
0.641 | Remote Similarity | NPC14227 |
0.641 | Remote Similarity | NPC113928 |
0.641 | Remote Similarity | NPC28394 |
0.641 | Remote Similarity | NPC301696 |
0.641 | Remote Similarity | NPC279026 |
0.641 | Remote Similarity | NPC301585 |
0.6389 | Remote Similarity | NPC286498 |
0.6364 | Remote Similarity | NPC106872 |
0.6364 | Remote Similarity | NPC200618 |
0.6364 | Remote Similarity | NPC121062 |
0.6364 | Remote Similarity | NPC29222 |
0.6364 | Remote Similarity | NPC131770 |
0.6364 | Remote Similarity | NPC96966 |
0.6341 | Remote Similarity | NPC249801 |
0.6341 | Remote Similarity | NPC46248 |
0.6333 | Remote Similarity | NPC39977 |
0.6316 | Remote Similarity | NPC128996 |
0.625 | Remote Similarity | NPC252154 |
0.6222 | Remote Similarity | NPC304162 |
0.6154 | Remote Similarity | NPC469712 |
0.6154 | Remote Similarity | NPC469714 |
0.6154 | Remote Similarity | NPC473568 |
0.6129 | Remote Similarity | NPC256186 |
0.6129 | Remote Similarity | NPC23071 |
0.6098 | Remote Similarity | NPC149184 |
0.6098 | Remote Similarity | NPC307783 |
0.6098 | Remote Similarity | NPC216630 |
0.6098 | Remote Similarity | NPC196924 |
0.6098 | Remote Similarity | NPC171736 |
0.6098 | Remote Similarity | NPC241279 |
0.6098 | Remote Similarity | NPC209970 |
0.6098 | Remote Similarity | NPC474361 |
0.6087 | Remote Similarity | NPC90904 |
0.6071 | Remote Similarity | NPC311000 |
0.6053 | Remote Similarity | NPC80641 |
0.6 | Remote Similarity | NPC219266 |
0.6 | Remote Similarity | NPC314087 |
0.6 | Remote Similarity | NPC299484 |
0.6 | Remote Similarity | NPC118968 |
0.6 | Remote Similarity | NPC214610 |
0.6 | Remote Similarity | NPC183424 |
0.6 | Remote Similarity | NPC110344 |
0.6 | Remote Similarity | NPC88839 |
0.6 | Remote Similarity | NPC294085 |
0.5952 | Remote Similarity | NPC67462 |
0.5938 | Remote Similarity | NPC88887 |
0.5882 | Remote Similarity | NPC238135 |
0.5882 | Remote Similarity | NPC52362 |
0.587 | Remote Similarity | NPC26253 |
0.5854 | Remote Similarity | NPC149299 |
0.5854 | Remote Similarity | NPC250028 |
0.5854 | Remote Similarity | NPC256163 |
0.5854 | Remote Similarity | NPC40597 |
0.5833 | Remote Similarity | NPC474322 |
0.5833 | Remote Similarity | NPC123814 |
0.5833 | Remote Similarity | NPC40965 |
0.5814 | Remote Similarity | NPC19305 |
0.5814 | Remote Similarity | NPC74845 |
0.5814 | Remote Similarity | NPC255837 |
0.5789 | Remote Similarity | NPC293908 |
0.5789 | Remote Similarity | NPC192065 |
0.5789 | Remote Similarity | NPC325034 |
0.5789 | Remote Similarity | NPC66052 |
0.5789 | Remote Similarity | NPC86412 |
0.5789 | Remote Similarity | NPC317203 |
0.5758 | Remote Similarity | NPC474048 |
0.575 | Remote Similarity | NPC54980 |
0.575 | Remote Similarity | NPC201622 |
0.575 | Remote Similarity | NPC34873 |
0.575 | Remote Similarity | NPC22903 |
0.575 | Remote Similarity | NPC40434 |
0.575 | Remote Similarity | NPC305660 |
0.575 | Remote Similarity | NPC268826 |
0.5714 | Remote Similarity | NPC270041 |
0.5714 | Remote Similarity | NPC163746 |
0.5714 | Remote Similarity | NPC161473 |
0.5714 | Remote Similarity | NPC53541 |
0.5714 | Remote Similarity | NPC103286 |
0.5682 | Remote Similarity | NPC108195 |
0.5682 | Remote Similarity | NPC8219 |
0.5682 | Remote Similarity | NPC55023 |
0.5676 | Remote Similarity | NPC322892 |
0.5667 | Remote Similarity | NPC61373 |
0.5641 | Remote Similarity | NPC155263 |
0.5625 | Remote Similarity | NPC100096 |
0.5625 | Remote Similarity | NPC307022 |
0.5625 | Remote Similarity | NPC129263 |
0.5625 | Remote Similarity | NPC87529 |
0.5625 | Remote Similarity | NPC94144 |
0.561 | Remote Similarity | NPC219536 |
0.561 | Remote Similarity | NPC223249 |
0.561 | Remote Similarity | NPC31551 |
0.561 | Remote Similarity | NPC80234 |
0.56 | Remote Similarity | NPC256209 |
0.56 | Remote Similarity | NPC23155 |
0.56 | Remote Similarity | NPC289979 |
0.56 | Remote Similarity | NPC53463 |
0.56 | Remote Similarity | NPC49059 |
0.56 | Remote Similarity | NPC286752 |
0.56 | Remote Similarity | NPC471442 |
0.56 | Remote Similarity | NPC469937 |
0.56 | Remote Similarity | NPC471423 |
0.56 | Remote Similarity | NPC320588 |
0.56 | Remote Similarity | NPC53209 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC24506 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 |
---|---|---|---|
0.9333 | High Similarity | NPD2272 | Approved |
0.9333 | High Similarity | NPD5383 | Approved |
0.7273 | Intermediate Similarity | NPD908 | Approved |
0.7273 | Intermediate Similarity | NPD907 | Approved |
0.7273 | Intermediate Similarity | NPD1461 | Approved |
0.7105 | Intermediate Similarity | NPD7536 | Approved |
0.6875 | Remote Similarity | NPD8988 | Clinical (unspecified phase) |
0.6512 | Remote Similarity | NPD385 | Approved |
0.6512 | Remote Similarity | NPD384 | Approved |
0.6512 | Remote Similarity | NPD3211 | Approved |
0.641 | Remote Similarity | NPD9448 | Phase 2 |
0.641 | Remote Similarity | NPD633 | Phase 3 |
0.6279 | Remote Similarity | NPD1152 | Phase 2 |
0.6098 | Remote Similarity | NPD2270 | Approved |
0.6087 | Remote Similarity | NPD3214 | Discontinued |
0.6071 | Remote Similarity | NPD8223 | Approved |
0.6 | Remote Similarity | NPD9655 | Approved |
0.6 | Remote Similarity | NPD5799 | Discontinued |
0.5952 | Remote Similarity | NPD1462 | Approved |
0.5854 | Remote Similarity | NPD1460 | Approved |
0.5833 | Remote Similarity | NPD3215 | Phase 1 |
0.5789 | Remote Similarity | NPD9051 | Approved |
0.5789 | Remote Similarity | NPD9053 | Approved |
0.5789 | Remote Similarity | NPD9052 | Approved |
0.5682 | Remote Similarity | NPD3199 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD3730 | Approved |
0.56 | Remote Similarity | NPD3728 | Approved |
0.56 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
PubChem CID   | 8174 |
ChEMBL   | CHEMBL25363 |
ZINC   |
Molecular Weight:   | 158.17 |
ALogP:   | -2.7014 |
MLogP:   | 2.45 |
XLogP:   | 4.265 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 11 |