Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO11146 | Cinnamomum micranthum | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | TCM_Taiwan* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TCM_Taiwan* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[24029555] |
||
NPO31073 | Ligusticum chuanxiong | Species | Apiaceae | Eukaryota | HerDing* | |||
NPO6538 | Leptolobium panamense | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO11997 | Leucophyllum ambiguum | Species | Scrophulariaceae | Eukaryota | UNPD* | |||
NPO15835 | Glycyrrhiza | Species | Fabaceae | Eukaryota | TCMSP* | |||
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO29438 | Radix chuanxiong | Species | Lymnaeidae | Eukaryota | TCMID* | |||
NPO22834 | Rhizoma chuanxiong | NA | NA | NA | TCMID* | |||
NPO18951 | Ligusticum sinense | Species | Apiaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 800 | ug/ml | 10.1016/S0960-894X(00)80336-4 |
NPT167 | Organism | Propionibacterium acnes | Propionibacterium acnes | MIC | = | 0.78 | ug/ml | 10.1016/S0960-894X(00)80336-4 |
NPT167 | Organism | Propionibacterium acnes | Propionibacterium acnes | MIC | = | 0.78 | ug/ml | 8158169 |
NPT167 | Organism | Propionibacterium acnes | Propionibacterium acnes | MBC | = | 1.56 | ug/ml | 8158169 |
NPT167 | Organism | Propionibacterium acnes | Propionibacterium acnes | Activity | > | 2 | 8158169 | |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 62173.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 21689.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 49385.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 977 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 22059.9 | 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 NPC126915 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 |
---|---|---|
0.9667 | High Similarity | NPC272998 |
0.9667 | High Similarity | NPC205141 |
0.9667 | High Similarity | NPC291158 |
0.9667 | High Similarity | NPC185538 |
0.9667 | High Similarity | NPC181516 |
0.9667 | High Similarity | NPC139131 |
0.9655 | High Similarity | NPC163556 |
0.9655 | High Similarity | NPC185041 |
0.9655 | High Similarity | NPC112242 |
0.9655 | High Similarity | NPC24506 |
0.9655 | High Similarity | NPC147096 |
0.9655 | High Similarity | NPC225783 |
0.9655 | High Similarity | NPC236797 |
0.9062 | High Similarity | NPC97967 |
0.9032 | High Similarity | NPC152759 |
0.9032 | High Similarity | NPC193062 |
0.9032 | High Similarity | NPC72324 |
0.9032 | High Similarity | NPC12231 |
0.9032 | High Similarity | NPC1748 |
0.9032 | High Similarity | NPC66124 |
0.9032 | High Similarity | NPC319034 |
0.8966 | High Similarity | NPC279895 |
0.8788 | High Similarity | NPC474914 |
0.8788 | High Similarity | NPC474392 |
0.871 | High Similarity | NPC267243 |
0.871 | High Similarity | NPC122962 |
0.8529 | High Similarity | NPC74352 |
0.8065 | Intermediate Similarity | NPC110884 |
0.8056 | Intermediate Similarity | NPC221022 |
0.8 | Intermediate Similarity | NPC177022 |
0.7931 | Intermediate Similarity | NPC275462 |
0.7778 | Intermediate Similarity | NPC197039 |
0.7742 | Intermediate Similarity | NPC159845 |
0.7647 | Intermediate Similarity | NPC283682 |
0.7568 | Intermediate Similarity | NPC471282 |
0.7368 | Intermediate Similarity | NPC160261 |
0.7368 | Intermediate Similarity | NPC469759 |
0.7368 | Intermediate Similarity | NPC152008 |
0.7333 | Intermediate Similarity | NPC213764 |
0.7241 | Intermediate Similarity | NPC52403 |
0.7188 | Intermediate Similarity | NPC223195 |
0.7143 | Intermediate Similarity | NPC474120 |
0.7143 | Intermediate Similarity | NPC474089 |
0.7143 | Intermediate Similarity | NPC139569 |
0.7097 | Intermediate Similarity | NPC560 |
0.7073 | Intermediate Similarity | NPC469781 |
0.7073 | Intermediate Similarity | NPC215358 |
0.7059 | Intermediate Similarity | NPC272426 |
0.6905 | Remote Similarity | NPC473914 |
0.6905 | Remote Similarity | NPC76976 |
0.6905 | Remote Similarity | NPC30195 |
0.6905 | Remote Similarity | NPC12438 |
0.6829 | Remote Similarity | NPC252978 |
0.6829 | Remote Similarity | NPC76051 |
0.6774 | Remote Similarity | NPC232554 |
0.6757 | Remote Similarity | NPC61665 |
0.6744 | Remote Similarity | NPC289484 |
0.6744 | Remote Similarity | NPC319709 |
0.6744 | Remote Similarity | NPC328497 |
0.6744 | Remote Similarity | NPC324004 |
0.6667 | Remote Similarity | NPC28394 |
0.6667 | Remote Similarity | NPC31557 |
0.6667 | Remote Similarity | NPC325345 |
0.6667 | Remote Similarity | NPC62014 |
0.6591 | Remote Similarity | NPC106872 |
0.6579 | Remote Similarity | NPC128996 |
0.6579 | Remote Similarity | NPC277333 |
0.6552 | Remote Similarity | NPC294703 |
0.6512 | Remote Similarity | NPC87439 |
0.6486 | Remote Similarity | NPC301398 |
0.6486 | Remote Similarity | NPC223374 |
0.6486 | Remote Similarity | NPC196442 |
0.6486 | Remote Similarity | NPC86545 |
0.6452 | Remote Similarity | NPC245688 |
0.6452 | Remote Similarity | NPC199270 |
0.6429 | Remote Similarity | NPC144891 |
0.6389 | Remote Similarity | NPC147054 |
0.6364 | Remote Similarity | NPC287550 |
0.6364 | Remote Similarity | NPC198540 |
0.6364 | Remote Similarity | NPC8597 |
0.6364 | Remote Similarity | NPC176309 |
0.6364 | Remote Similarity | NPC39869 |
0.6364 | Remote Similarity | NPC223468 |
0.6364 | Remote Similarity | NPC84030 |
0.6364 | Remote Similarity | NPC147343 |
0.6364 | Remote Similarity | NPC276332 |
0.6341 | Remote Similarity | NPC307783 |
0.6341 | Remote Similarity | NPC209970 |
0.6341 | Remote Similarity | NPC149184 |
0.6341 | Remote Similarity | NPC171736 |
0.6341 | Remote Similarity | NPC216630 |
0.6341 | Remote Similarity | NPC241279 |
0.6341 | Remote Similarity | NPC196924 |
0.6316 | Remote Similarity | NPC328441 |
0.6304 | Remote Similarity | NPC90904 |
0.6279 | Remote Similarity | NPC240994 |
0.625 | Remote Similarity | NPC301696 |
0.625 | Remote Similarity | NPC279026 |
0.625 | Remote Similarity | NPC301585 |
0.625 | Remote Similarity | NPC201844 |
0.625 | Remote Similarity | NPC261080 |
0.625 | Remote Similarity | NPC113928 |
0.625 | Remote Similarity | NPC14227 |
0.625 | Remote Similarity | NPC154186 |
0.6222 | Remote Similarity | NPC29222 |
0.6222 | Remote Similarity | NPC200618 |
0.6222 | Remote Similarity | NPC121062 |
0.6222 | Remote Similarity | NPC96966 |
0.6222 | Remote Similarity | NPC131770 |
0.6216 | Remote Similarity | NPC286498 |
0.619 | Remote Similarity | NPC67462 |
0.619 | Remote Similarity | NPC46248 |
0.619 | Remote Similarity | NPC249801 |
0.6129 | Remote Similarity | NPC39977 |
0.6087 | Remote Similarity | NPC26253 |
0.6087 | Remote Similarity | NPC304162 |
0.6061 | Remote Similarity | NPC252154 |
0.6047 | Remote Similarity | NPC74845 |
0.6042 | Remote Similarity | NPC474322 |
0.6042 | Remote Similarity | NPC123814 |
0.6 | Remote Similarity | NPC469712 |
0.6 | Remote Similarity | NPC469714 |
0.6 | Remote Similarity | NPC473568 |
0.5952 | Remote Similarity | NPC474361 |
0.5938 | Remote Similarity | NPC256186 |
0.5938 | Remote Similarity | NPC23071 |
0.5918 | Remote Similarity | NPC270041 |
0.5909 | Remote Similarity | NPC8219 |
0.5897 | Remote Similarity | NPC80641 |
0.587 | Remote Similarity | NPC314087 |
0.5862 | Remote Similarity | NPC311000 |
0.5854 | Remote Similarity | NPC183424 |
0.5854 | Remote Similarity | NPC214610 |
0.5854 | Remote Similarity | NPC118968 |
0.5854 | Remote Similarity | NPC294085 |
0.5814 | Remote Similarity | NPC71317 |
0.5814 | Remote Similarity | NPC474125 |
0.5814 | Remote Similarity | NPC474126 |
0.5814 | Remote Similarity | NPC129972 |
0.5814 | Remote Similarity | NPC236579 |
0.5814 | Remote Similarity | NPC203531 |
0.5814 | Remote Similarity | NPC301528 |
0.5806 | Remote Similarity | NPC88839 |
0.5806 | Remote Similarity | NPC299484 |
0.5806 | Remote Similarity | NPC110344 |
0.5806 | Remote Similarity | NPC219266 |
0.58 | Remote Similarity | NPC23155 |
0.58 | Remote Similarity | NPC289979 |
0.58 | Remote Similarity | NPC53463 |
0.58 | Remote Similarity | NPC469937 |
0.58 | Remote Similarity | NPC320588 |
0.5758 | Remote Similarity | NPC88887 |
0.5714 | Remote Similarity | NPC52362 |
0.5714 | Remote Similarity | NPC40597 |
0.5714 | Remote Similarity | NPC238135 |
0.5714 | Remote Similarity | NPC149299 |
0.5714 | Remote Similarity | NPC28598 |
0.5714 | Remote Similarity | NPC161097 |
0.5714 | Remote Similarity | NPC256163 |
0.5714 | Remote Similarity | NPC250028 |
0.5682 | Remote Similarity | NPC255837 |
0.5682 | Remote Similarity | NPC19305 |
0.5676 | Remote Similarity | NPC40965 |
0.5652 | Remote Similarity | NPC21844 |
0.5641 | Remote Similarity | NPC192065 |
0.5641 | Remote Similarity | NPC293908 |
0.5641 | Remote Similarity | NPC317203 |
0.5641 | Remote Similarity | NPC86412 |
0.5641 | Remote Similarity | NPC325034 |
0.5641 | Remote Similarity | NPC66052 |
0.561 | Remote Similarity | NPC34873 |
0.561 | Remote Similarity | NPC40434 |
0.561 | Remote Similarity | NPC201622 |
0.561 | Remote Similarity | NPC22903 |
0.561 | Remote Similarity | NPC305660 |
0.561 | Remote Similarity | NPC268826 |
0.561 | Remote Similarity | NPC54980 |
0.56 | Remote Similarity | NPC161473 |
0.56 | Remote Similarity | NPC474496 |
0.56 | Remote Similarity | NPC187361 |
0.56 | Remote Similarity | NPC477724 |
0.56 | Remote Similarity | NPC26102 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC126915 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 |
---|---|---|---|
0.9667 | High Similarity | NPD2272 | Approved |
0.9667 | High Similarity | NPD5383 | Approved |
0.7368 | Intermediate Similarity | NPD7536 | Approved |
0.7059 | Intermediate Similarity | NPD907 | Approved |
0.7059 | Intermediate Similarity | NPD1461 | Approved |
0.7059 | Intermediate Similarity | NPD908 | Approved |
0.6744 | Remote Similarity | NPD3211 | Approved |
0.6667 | Remote Similarity | NPD8988 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD385 | Approved |
0.6364 | Remote Similarity | NPD384 | Approved |
0.6341 | Remote Similarity | NPD2270 | Approved |
0.6304 | Remote Similarity | NPD3214 | Discontinued |
0.625 | Remote Similarity | NPD9448 | Phase 2 |
0.625 | Remote Similarity | NPD5799 | Discontinued |
0.625 | Remote Similarity | NPD633 | Phase 3 |
0.6136 | Remote Similarity | NPD1152 | Phase 2 |
0.6042 | Remote Similarity | NPD3215 | Phase 1 |
0.5909 | Remote Similarity | NPD3199 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD8223 | Approved |
0.5854 | Remote Similarity | NPD9655 | Approved |
0.5814 | Remote Similarity | NPD1462 | Approved |
0.58 | Remote Similarity | NPD3730 | Approved |
0.58 | Remote Similarity | NPD3728 | Approved |
0.58 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD1460 | Approved |
0.5641 | Remote Similarity | NPD9053 | Approved |
0.5641 | Remote Similarity | NPD9051 | Approved |
0.5641 | Remote Similarity | NPD9052 | Approved |
0.561 | Remote Similarity | NPD3206 | Approved |
PubChem CID   | 12397 |
ChEMBL   | CHEMBL26561 |
ZINC   |
Molecular Weight:   | 228.25 |
ALogP:   | -4.1414 |
MLogP:   | 3 |
XLogP:   | 7.11 |
# Rotatable Bonds:   | 15 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 16 |